CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 CHEMBL388978 Kd 0.1 nM
CC1(C)C(=O)N([C@H]2CCc3c(O)cccc32)c2nc(Nc3cccc(CN4CCCC4)c3)ncc21 CHEMBL5305160 IC50 2.0 nM
CO[C@@H]1[C@H](N(C)CCOCCOCCOCCNC(=O)CCC2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)C=C2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 CHEMBL4576489 Kd 3.0 nM
CCS(=O)(=O)N1CCN(c2ccc(Nc3ncc(C(N)=O)c(NC4CC4)n3)cc2)CC1 CHEMBL4116008 IC50 4.0 nM
CO[C@@H]1[C@H](NCCOCCOCCOCCNC(=O)CCC2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)C=C2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 CHEMBL4465866 Kd 6.0 nM
CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 CHEMBL1980995 pKi 7.943 nM
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)N[C@H]4O CHEMBL574737 Kd apparent 13.0 nM
C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O CHEMBL603469 Kd 14.0 nM
COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1 CHEMBL1984162 pKi 15.85 nM
COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC CHEMBL1241473 pKi 15.85 nM
CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br CHEMBL1971029 pKi 15.85 nM
Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)CNC3=O CHEMBL302449 pKi 25.12 nM
Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1 CHEMBL1970317 pKi 39.81 nM
N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1 CHEMBL1987034 pKi 39.81 nM
COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 CHEMBL509032 Kd 44.0 nM
NCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc21 CHEMBL592030 pKi 50.12 nM
NCCC(C(=O)Nc1ccc2[nH]ncc2c1)c1ccc(Cl)c(Cl)c1 CHEMBL1998121 pKi 50.12 nM
COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(Cl)c5o4)cc3)c3c(N)ncnc32)CC1 CHEMBL1987054 pKi 50.12 nM
O=C(NCCCNc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1)C1CCC1 CHEMBL3605057 IC50 52.0 nM
O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1 CHEMBL1973540 pKi 63.1 nM
O=C(Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1 CHEMBL1999931 pKi 63.1 nM
COC(C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1 CHEMBL1981047 pKi 63.1 nM
Cc1n[nH]c2cnc(-c3cncc(OCC(N)Cc4cccc(C(F)(F)F)c4)c3)cc12 CHEMBL1998159 pKi 79.43 nM
CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1 CHEMBL1970104 pKi 79.43 nM
NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1 CHEMBL1982957 pKi 79.43 nM
NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc21 CHEMBL590109 pKi 79.43 nM
NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12 CHEMBL2001751 pKi 79.43 nM
O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21 CHEMBL2000393 pKi 79.43 nM
Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12 CHEMBL2005886 pKi 79.43 nM
Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 CHEMBL1990583 pKi 79.43 nM
O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21 CHEMBL1997129 pKi 79.43 nM
CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 CHEMBL608533 Kd 100.0 nM
Cc1nc(Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)c2sccc2n1 CHEMBL3128043 Kd apparent 114.0 nM
CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)cn2)C1 CHEMBL2105759 Kd apparent 125.0 nM
CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1 CHEMBL522892 pKi 125.89 nM
OC1CCN(c2ncnc3[nH]cc(-c4ccccc4)c23)CC1 CHEMBL1973395 pKi 125.89 nM
Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)c1 CHEMBL1967116 pKi 158.49 nM
NC(=O)c1ccc(-c2c[nH]c3nccc(Cl)c23)cc1 CHEMBL1982711 pKi 158.49 nM
Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12 CHEMBL1970903 pKi 158.49 nM
Nc1ncc(-c2ccncc2)c2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12 CHEMBL1970083 pKi 158.49 nM
CC(C)c1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CCN(C)CC3)n2)on1 CHEMBL3545085 Kd apparent 196.0 nM
c1cc2cc(-c3ccc4cn[nH]c4c3)cnc2[nH]1 CHEMBL1976134 pKi 199.53 nM
Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12 CHEMBL1972158 pKi 199.53 nM
OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12 CHEMBL1992922 pKi 199.53 nM
Cc1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1C CHEMBL2000335 pKi 199.53 nM
NC(=O)Cn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc21 CHEMBL1985095 pKi 199.53 nM
Cc1cncc2cccc(S(=O)(=O)N3CCCNCC3C)c12 CHEMBL1082440 pKi 199.53 nM
CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C CHEMBL1990885 pKi 199.53 nM
N#Cc1ccc(-c2n[nH]c3c2Cc2ccc(OCCCCN4CCOCC4)cc2-3)cn1 CHEMBL398951 pKi 251.19 nM
COc1ccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)cc1OC CHEMBL1964399 pKi 251.19 nM
Cc1cccc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)c1 CHEMBL1965507 pKi 251.19 nM
CNC(=O)N1CCN(CCCOc2ccc3c(c2)-c2[nH]nc(-c4ccc(C#N)nc4)c2C3)CC1 CHEMBL2001998 pKi 251.19 nM
Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4cccc(Cl)c4)c3)cc12 CHEMBL1974870 pKi 251.19 nM
Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccc(Cl)c(Cl)c4)c3)cc12 CHEMBL1991063 pKi 251.19 nM
CN1CCN(C2CCC(n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1 CHEMBL1997617 pKi 251.19 nM
Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 CHEMBL1980297 pKi 251.19 nM
COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC CHEMBL475251 Kd 280.0 nM
CC1(COc2ccc3c(c2)ncn3-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1 CHEMBL2105728 Kd apparent 300.0 nM
CCS(=O)(=O)N1CCN(c2ccc(Nc3ncc(C(N)=O)c(NC4CC4)n3)cc2)CC1 CHEMBL3991929 Kd apparent 302.0 nM
CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C CHEMBL535 Kd 310.0 nM
Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3I)cc12 CHEMBL1975128 pKi 316.23 nM
Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4cccc(OC(F)(F)F)c4)c3)cc12 CHEMBL1965836 pKi 316.23 nM
CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O CHEMBL1084546 pKi 316.23 nM
Cc1cccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)c1 CHEMBL1969523 pKi 316.23 nM
Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1 CHEMBL1967878 pKi 316.23 nM
Nc1ncnc2scc(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)c12 CHEMBL1988594 pKi 316.23 nM
CCCCOc1ncnc2[nH]cc(-c3ccccc3)c12 CHEMBL1996817 pKi 316.23 nM
NC(COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12 CHEMBL1966524 pKi 316.23 nM
CC(C)(C(N)=O)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1 CHEMBL1967720 pKi 316.23 nM
CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@H]3CCCNC3)c21 CHEMBL494089 Kd apparent 351.0 nM
CO[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1 CHEMBL402548 Kd apparent 365.0 nM
CC(O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1 CHEMBL2002165 pKi 398.11 nM
Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12 CHEMBL1998585 pKi 398.11 nM
Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(OC(F)F)cc5)cc4)csc23)cn1 CHEMBL1988387 pKi 398.11 nM
CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)csc12 CHEMBL1982476 pKi 398.11 nM
OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12 CHEMBL2000071 pKi 398.11 nM
CC(C)Cc1cc(-c2ccc3[nH]nc(N)c3c2)on1 CHEMBL1966343 pKi 398.11 nM
Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)O)c5)cnc(N)c34)cc2)c1 CHEMBL1989708 pKi 398.11 nM
O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2ccccc2N1 CHEMBL50894 pKi 398.11 nM
Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1 CHEMBL1979577 pKi 398.11 nM
CCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12 CHEMBL1979516 pKi 398.11 nM
CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)N[C@H]4O CHEMBL1240703 Kd 400.0 nM
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1 CHEMBL1721885 Kd 440.0 nM
O=C(c1ccc(/C=C/c2n[nH]c3ccccc23)cc1)N1CCNCC1 CHEMBL1908397 Kd 440.0 nM
NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)N[C@H]1CCCNC1 CHEMBL2041933 Kd apparent 442.0 nM
Cn1cc(C2=Nc3cc(NC(=O)C(N)C4CCCCC4)cc4c3C2=CNNC4=O)cn1 CHEMBL3545137 Kd apparent 491.0 nM
NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1 CHEMBL1993424 pKi 501.19 nM
O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1c(F)cccc1F CHEMBL1996979 pKi 501.19 nM
CCN(CC)CCNC(=O)C=Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12 CHEMBL2004716 pKi 501.19 nM
Cc1ccc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)cc1 CHEMBL1972576 pKi 501.19 nM
CCC(N)(C#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12)CC CHEMBL1983025 pKi 501.19 nM
COCc1nnn(-c2nonc2N)c1C(=O)NN=C(C)c1ccc(O)cc1O CHEMBL1991180 pKi 501.19 nM
O=C(NCC1CCCCC1)c1cc2c(-c3ccccc3)n[nH]c2s1 CHEMBL2005475 pKi 501.19 nM
CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1 CHEMBL1988437 pKi 501.19 nM
COc1ccc2c(c1)C(=Cc1c[nH]cn1)C(=O)N2 CHEMBL2002649 pKi 501.19 nM
CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12 CHEMBL1983111 Kd apparent 580.0 nM
N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1 CHEMBL1078178 Kd apparent 614.0 nM
Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCCC5)cnc(N)c34)cc2)c1 CHEMBL1973211 pKi 630.96 nM
Nc1ncnc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12 CHEMBL1967531 pKi 630.96 nM
COc1ccc(-c2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)c2c(N)noc12 CHEMBL1969190 pKi 630.96 nM
Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1 CHEMBL1982465 pKi 630.96 nM
Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2 CHEMBL260092 pKi 630.96 nM
CC1CCN(C(=O)CC#N)CC1N(C)c1ncnc2[nH]ccc12 CHEMBL234085 pKi 630.96 nM
CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl CHEMBL1825138 pKi 630.96 nM
CCCn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1 CHEMBL1993941 pKi 630.96 nM
CCCC(=O)Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12 CHEMBL2005936 pKi 630.96 nM
CCn1c(C)c(-c2ccnc(Nc3cccc(OC)c3)n2)sc1=O CHEMBL1986263 pKi 630.96 nM
N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1 CHEMBL1789941 Kd 660.0 nM
COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 CHEMBL281948 Kd apparent 704.0 nM
COC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2c(N)ncnn2c1C CHEMBL1977041 pKi 794.33 nM
Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1 CHEMBL1979883 pKi 794.33 nM
Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cn[nH]c5)cnc(N)c34)cc2)c1 CHEMBL1969102 pKi 794.33 nM
COc1cccc(C(C)NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1 CHEMBL1965845 pKi 794.33 nM
Brc1cnc2[nH]cc(-c3ccccc3)c2c1 CHEMBL1992634 pKi 794.33 nM
COc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)noc12 CHEMBL271381 pKi 794.33 nM
Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O CHEMBL2007064 pKi 794.33 nM
O=C(NCc1ccccc1)c1cccc(-c2cnc3[nH]ccc3c2)c1 CHEMBL1972142 pKi 794.33 nM
NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1 CHEMBL1988163 pKi 794.33 nM
Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCNS(C)(=O)=O)cnc(N)c34)cc2)c1 CHEMBL1994321 pKi 794.33 nM
CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12 CHEMBL2006778 pKi 1000.0 nM
CCc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1 CHEMBL1968406 pKi 1000.0 nM
CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4c(c3)OCO4)csc12 CHEMBL1993243 pKi 1000.0 nM
Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1 CHEMBL1965988 pKi 1000.0 nM
Cc1n[nH]c2ccc(-c3cncc(OCC(CN)Cc4ccccc4)c3)cc12 CHEMBL2000271 pKi 1000.0 nM
CNc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2 CHEMBL1981410 pKi 1000.0 nM
Cc1cc(C)cc(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1 CHEMBL371206 pKi 1000.0 nM
CCN(CC)CC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12 CHEMBL2001257 pKi 1000.0 nM
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1 CHEMBL572878 pKi 1000.0 nM
COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(=O)O)s3)c2cc1OC CHEMBL474432 pKi 1000.0 nM
CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)csc12 CHEMBL2005631 pKi 1000.0 nM
O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1 CHEMBL296586 pKi 1000.0 nM
CN1C(=O)[C@@H](N2CCc3cn(Cc4ccccc4)nc3C2=O)COc2ccccc21 CHEMBL4088216 pIC50 1000.0 nM
CN1C(=O)[C@@H](N2CCc3c(nn(Cc4ccccc4)c3Br)C2=O)COc2ccccc21 CHEMBL4549667 pIC50 1000.0 nM
CN1C(=O)[C@@H](N2CCc3cn(CC4CCS(=O)(=O)CC4)nc3C2=O)COc2ccccc21 CHEMBL4097778 pIC50 1000.0 nM