molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL2436937 |
|
IC50 |
= |
0.0 |
nM |
336.76 |
O=C(O)CNC(=O)c1nc(Cl)c2c(sc3ccccc32)c1O |
Homo sapiens |
CHEMBL3118413 |
single protein format |
CHEMBL3115315 |
OBDepict
N
N
OH
S
N
N
O
|
IC50 |
= |
0.0 |
nM |
300.34 |
N#Cc1cnc(-c2nc(CC(=O)N3CCC3)cs2)c(O)c1 |
Homo sapiens |
CHEMBL3118412 |
cell-based format |
CHEMBL2041185 |
OBDepict
CH
3
O
N
N
N
O
N
O
N
N
H
3
C
H
3
C
O
OH
|
IC50 |
= |
0.2 |
nM |
592.66 |
COc1nccnc1N1C(=O)N(c2ccc(-c3ccc(C(=O)O)cc3C)cc2)C(=O)C12CCN(Cc1ncccc1C)CC2 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL2041175 |
OBDepict
OH
N
N
N
O
N
O
N
N
CH
3
N
S
|
IC50 |
= |
0.2 |
nM |
577.67 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccc4scnc4c3)cc1)C(=O)N2c1cc(O)ncn1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL2043325 |
OBDepict
H
3
C
O
N
N
N
O
N
O
N
N
CH
3
CH
3
O
HO
|
IC50 |
= |
0.2 |
nM |
592.66 |
COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)O)cc4C)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL2041193 |
OBDepict
OH
O
CH
3
N
O
N
O
N
N
N
N
CH
3
|
IC50 |
= |
0.2 |
nM |
562.63 |
Cc1cc(C(=O)O)ccc1-c1ccc(N2C(=O)N(c3ccncn3)C3(CCN(Cc4ncccc4C)CC3)C2=O)cc1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL2041169 |
OBDepict
OH
N
N
N
O
N
O
N
N
CH
3
N
H
N
|
IC50 |
= |
0.2 |
nM |
586.66 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccc(-c4ccn[nH]4)cc3)cc1)C(=O)N2c1cc(O)ncn1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL2041182 |
OBDepict
H
3
C
N
N
N
O
N
O
N
N
CH
3
CH
3
O
HO
|
IC50 |
= |
0.2 |
nM |
576.66 |
Cc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)O)cc4C)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL2041184 |
OBDepict
CH
3
N
N
N
O
N
O
N
N
CH
3
CH
3
O
HO
|
IC50 |
= |
0.2 |
nM |
576.66 |
Cc1nccc(N2C(=O)N(c3ccc(-c4ccc(C(=O)O)cc4C)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)n1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL2041192 |
OBDepict
OH
O
N
O
N
O
N
N
N
N
CH
3
|
IC50 |
= |
0.2 |
nM |
548.6 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccc(C(=O)O)cc3)cc1)C(=O)N2c1ccncn1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL2041186 |
OBDepict
OH
O
CH
3
N
O
N
O
N
CH
3
N
N
N
CH
3
|
IC50 |
= |
0.2 |
nM |
576.66 |
Cc1cc(C(=O)O)ccc1-c1ccc(N2C(=O)N(c3nccnc3C)C3(CCN(Cc4ncccc4C)CC3)C2=O)cc1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL2041190 |
OBDepict
OH
O
CH
3
N
O
N
O
N
N
N
N
CH
3
|
IC50 |
= |
0.2 |
nM |
562.63 |
Cc1cc(C(=O)O)ccc1-c1ccc(N2C(=O)N(c3cnccn3)C3(CCN(Cc4ncccc4C)CC3)C2=O)cc1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL2041188 |
OBDepict
OH
O
CH
3
N
O
N
O
N
N
N
N
CH
3
|
IC50 |
= |
0.4 |
nM |
562.63 |
Cc1cc(C(=O)O)ccc1-c1ccc(N2C(=O)N(c3ncccn3)C3(CCN(Cc4ncccc4C)CC3)C2=O)cc1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL2041189 |
OBDepict
OH
O
N
O
N
O
N
N
N
N
CH
3
|
IC50 |
= |
0.4 |
nM |
548.6 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccc(C(=O)O)cc3)cc1)C(=O)N2c1cnccn1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL2043324 |
OBDepict
H
3
C
O
N
N
N
O
N
O
N
N
CH
3
F
O
HO
|
IC50 |
= |
0.4 |
nM |
596.62 |
COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)O)cc4F)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL2043169 |
OBDepict
CH
3
O
N
N
N
O
N
O
N
N
H
3
C
O
OH
|
IC50 |
= |
0.4 |
nM |
578.63 |
COc1cc(N2C(=O)N(c3ccc(-c4cccc(C(=O)O)c4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL2043168 |
OBDepict
H
3
C
O
N
N
N
O
N
O
N
N
CH
3
O
HO
|
IC50 |
= |
0.4 |
nM |
578.63 |
COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)O)cc4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL2043010 |
OBDepict
H
3
C
O
N
N
N
O
N
O
N
O
OH
N
CH
3
|
IC50 |
= |
0.4 |
nM |
578.63 |
COc1cc(N2C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3C(=O)O)ncn1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL2041178 |
OBDepict
H
3
C
O
N
N
N
O
N
O
N
N
CH
3
N
H
O
CH
3
|
IC50 |
= |
0.5 |
nM |
591.67 |
CNC(=O)c1ccc(-c2ccc(N3C(=O)N(c4cc(OC)ncn4)C4(CCN(Cc5ncccc5C)CC4)C3=O)cc2)cc1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL2043326 |
OBDepict
H
3
C
O
N
N
N
O
N
O
N
N
CH
3
CH
3
O
HO
|
IC50 |
= |
0.5 |
nM |
592.66 |
COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)O)c(C)c4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL2040854 |
OBDepict
OH
N
N
N
O
N
O
N
N
N
CH
3
H
3
C
O
OH
|
IC50 |
= |
0.6 |
nM |
579.62 |
Cc1cc(C(=O)O)ccc1-c1ccc(N2C(=O)N(c3cc(O)ncn3)C3(CCN(Cc4ncccc4C)CC3)C2=O)cn1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL2041010 |
OBDepict
CH
3
O
N
N
N
O
N
O
N
N
S
H
3
C
O
OH
|
IC50 |
= |
0.6 |
nM |
584.66 |
COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)O)s4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL4167582 |
OBDepict
O
N
H
N
HO
N
H
O
O
OH
|
IC50 |
= |
0.62 |
nM |
419.44 |
O=C(O)CCNC(=O)c1cc(O)c(C(=O)NC(c2ccccc2)c2ccccc2)cn1 |
Homo sapiens |
CHEMBL4149394 |
cell-based format |
CHEMBL3115307 |
OBDepict
OH
O
HN
O
OH
O
N
N
Cl
N
F
F
F
|
IC50 |
= |
0.65 |
nM |
456.76 |
O=C(O)CNC(=O)c1c(O)c2cc(Cl)cnc2n(Cc2ccc(C(F)(F)F)nc2)c1=O |
Homo sapiens |
CHEMBL3118615 |
cell-based format |
CHEMBL3115311 |
OBDepict
O
N
H
N
OH
N
N
N
|
IC50 |
= |
0.7 |
nM |
345.36 |
O=C(Cc1ccc2ccccc2c1)Nc1cnc(-n2cccn2)nc1O |
Homo sapiens |
CHEMBL3118615 |
cell-based format |
CHEMBL3115276 |
OBDepict
CH
3
N
N
O
N
O
HO
|
IC50 |
= |
0.7 |
nM |
503.6 |
Cc1cccc(CN2CCC3(CC2)C(=O)N(c2ccc(-c4ccccc4)cc2)c2ccc(C(=O)O)cc23)n1 |
Homo sapiens |
CHEMBL3118615 |
cell-based format |
CHEMBL4171446 |
OBDepict
O
N
H
N
OH
N
N
N
|
IC50 |
= |
0.7 |
nM |
371.4 |
O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cnc(-n2cccn2)nc1O |
Homo sapiens |
CHEMBL4149393 |
cell-based format |
CHEMBL2042993 |
OBDepict
OH
O
N
O
N
N
CH
3
|
IC50 |
= |
0.7 |
nM |
503.6 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)c1ccc(C(=O)O)cc12 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL2041194 |
OBDepict
OH
O
CH
3
N
N
O
N
O
N
N
N
N
CH
3
|
IC50 |
= |
0.8 |
nM |
563.62 |
Cc1cc(C(=O)O)ccc1-c1ccc(N2C(=O)N(c3ccncn3)C3(CCN(Cc4ncccc4C)CC3)C2=O)cn1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL2041177 |
OBDepict
H
3
C
O
N
N
N
O
N
O
N
N
CH
3
O
H
2
N
|
IC50 |
= |
0.8 |
nM |
577.65 |
COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(N)=O)cc4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL2041187 |
OBDepict
OH
O
N
O
N
O
N
N
N
N
CH
3
|
IC50 |
= |
0.8 |
nM |
548.6 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccc(C(=O)O)cc3)cc1)C(=O)N2c1ncccn1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL2040897 |
OBDepict
OH
N
N
N
O
N
O
N
N
S
CH
3
H
3
C
N
CH
3
|
IC50 |
= |
0.9 |
nM |
555.66 |
Cc1nc(C)c(-c2ccc(N3C(=O)N(c4cc(O)ncn4)C4(CCN(Cc5ncccc5C)CC4)C3=O)cc2)s1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL4161223 |
OBDepict
N
O
N
OH
O
N
H
O
O
OH
F
F
F
|
IC50 |
= |
0.9 |
nM |
473.36 |
N#Cc1cc2c3c(c1)c(O)c(C(=O)NCC(=O)O)c(=O)n3CC(c1ccc(C(F)(F)F)cc1)O2 |
Homo sapiens |
CHEMBL4149394 |
cell-based format |
CHEMBL4783524 |
OBDepict
H
3
C
O
N
H
O
O
N
OH
N
CH
3
N
N
|
IC50 |
= |
1.0 |
nM |
443.46 |
COc1ccc(C(NC(=O)c2cnc(-c3cccnn3)nc2O)c2ccc(OC)cc2)cc1 |
Homo sapiens |
CHEMBL4766422 |
cell-based format |
CHEMBL4170335 |
OBDepict
N
HN
N
OH
O
N
H
O
O
OH
F
F
F
|
IC50 |
= |
1.0 |
nM |
472.38 |
N#Cc1cc2c3c(c1)c(O)c(C(=O)NCC(=O)O)c(=O)n3CC(c1ccc(C(F)(F)F)cc1)N2 |
Homo sapiens |
CHEMBL4149394 |
cell-based format |
CHEMBL2041191 |
OBDepict
OH
O
CH
3
N
N
O
N
O
N
N
N
N
CH
3
|
IC50 |
= |
1.0 |
nM |
563.62 |
Cc1cc(C(=O)O)ccc1-c1ccc(N2C(=O)N(c3cnccn3)C3(CCN(Cc4ncccc4C)CC3)C2=O)cn1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL2043011 |
OBDepict
OH
N
N
N
O
N
O
N
N
CH
3
O
OH
|
IC50 |
= |
1.1 |
nM |
564.6 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccc(C(=O)O)cc3)cc1)C(=O)N2c1cc(O)ncn1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL4785918 |
OBDepict
CH
3
O
N
H
O
O
N
OH
N
CH
3
N
N
|
IC50 |
= |
1.1 |
nM |
431.45 |
COc1ccc(C(NC(=O)c2cnc(-n3cccn3)nc2O)c2ccc(OC)cc2)cc1 |
Homo sapiens |
CHEMBL4766422 |
cell-based format |
CHEMBL4796629 |
OBDepict
O
NH
N
OH
N
N
N
|
IC50 |
= |
1.3 |
nM |
371.4 |
O=C(NCc1ccc(-c2ccccc2)cc1)c1cnc(-n2cccn2)nc1O |
Homo sapiens |
CHEMBL4766422 |
cell-based format |
CHEMBL4781541 |
OBDepict
CH
3
O
N
H
H
3
C
H
O
N
OH
N
N
N
|
IC50 |
= |
1.4 |
nM |
339.36 |
COc1ccc([C@H](C)NC(=O)c2cnc(-n3cccn3)nc2O)cc1 |
Homo sapiens |
CHEMBL4766422 |
cell-based format |
CHEMBL2041174 |
OBDepict
CH
3
O
N
N
N
O
N
O
N
N
H
3
C
N
N
H
|
IC50 |
= |
1.5 |
nM |
574.65 |
COc1cc(N2C(=O)N(c3ccc(-c4ccc5nc[nH]c5c4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL3115302 |
OBDepict
OH
O
HN
O
OH
O
N
CH
3
N
N
F
|
IC50 |
= |
1.5 |
nM |
372.31 |
Cn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cnc(-c3ccccc3F)nc21 |
Homo sapiens |
CHEMBL3118619 |
single protein format |
CHEMBL4162417 |
OBDepict
N
S
N
OH
O
N
H
O
O
OH
F
F
F
|
IC50 |
= |
1.5 |
nM |
489.43 |
N#Cc1cc2c3c(c1)c(O)c(C(=O)NCC(=O)O)c(=O)n3CC(c1ccc(C(F)(F)F)cc1)S2 |
Homo sapiens |
CHEMBL4149394 |
cell-based format |
CHEMBL2041180 |
OBDepict
H
3
C
O
N
N
N
O
N
O
N
N
N
CH
3
O
HO
|
IC50 |
= |
1.6 |
nM |
579.62 |
COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)O)cc4)nc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL2042995 |
OBDepict
CH
3
N
N
O
N
N
|
IC50 |
= |
1.6 |
nM |
460.58 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)c1ncccc12 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL2041176 |
OBDepict
H
3
C
O
N
N
N
O
N
O
N
N
CH
3
N
|
IC50 |
= |
1.6 |
nM |
559.63 |
COc1cc(N2C(=O)N(c3ccc(-c4ccc(C#N)cc4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL4165865 |
OBDepict
N
O
N
OH
O
N
H
O
O
HO
|
IC50 |
= |
1.8 |
nM |
329.27 |
N#Cc1cc2c3c(c1)c(O)c(C(=O)NCC(=O)O)c(=O)n3CCO2 |
Homo sapiens |
CHEMBL4149394 |
cell-based format |
CHEMBL2041181 |
OBDepict
H
3
C
O
N
N
N
O
N
O
N
N
N
CH
3
CH
3
O
HO
|
IC50 |
= |
1.9 |
nM |
593.64 |
COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)O)cc4C)nc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL4793403 |
OBDepict
F
N
H
CH
3
H
O
N
OH
N
N
N
|
IC50 |
= |
1.9 |
nM |
327.32 |
C[C@H](NC(=O)c1cnc(-n2cccn2)nc1O)c1ccc(F)cc1 |
Homo sapiens |
CHEMBL4766422 |
cell-based format |
CHEMBL4159227 |
OBDepict
N
N
OH
O
N
H
O
O
OH
F
F
F
|
IC50 |
= |
1.9 |
nM |
471.39 |
N#Cc1cc2c3c(c1)c(O)c(C(=O)NCC(=O)O)c(=O)n3CC(c1ccc(C(F)(F)F)cc1)C2 |
Homo sapiens |
CHEMBL4149394 |
cell-based format |
CHEMBL4127286 |
OBDepict
CH
N
OH
N
H
O
O
OH
|
IC50 |
= |
1.9 |
nM |
220.18 |
C#Cc1cnc(C(=O)NCC(=O)O)c(O)c1 |
Homo sapiens |
CHEMBL4124444 |
single protein format |
CHEMBL2041172 |
OBDepict
CH
3
O
N
N
N
O
N
O
N
N
H
3
C
N
H
N
|
IC50 |
= |
2.0 |
nM |
574.65 |
COc1cc(N2C(=O)N(c3ccc(-c4ccc5cn[nH]c5c4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL4799940 |
OBDepict
O
N
H
N
HO
N
N
N
|
IC50 |
= |
2.0 |
nM |
371.4 |
O=C(NC(c1ccccc1)c1ccccc1)c1cnc(-n2cccn2)nc1O |
Homo sapiens |
CHEMBL4766422 |
cell-based format |
CHEMBL4451025 |
OBDepict
N
O
N
O
O
HO
NH
O
F
F
F
O
HO
|
IC50 |
= |
2.0 |
nM |
489.36 |
N#Cc1ccc(C2Cn3c(=O)c(C(=O)NCC(=O)O)c(O)c4cc(OC(F)(F)F)cc(c43)O2)cc1 |
Homo sapiens |
CHEMBL4329854 |
cell-based format |
CHEMBL2042994 |
OBDepict
CH
3
N
N
O
N
N
|
IC50 |
= |
2.1 |
nM |
460.58 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)c1cccnc12 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL2043005 |
OBDepict
O
N
N
O
N
N
N
N
H
3
C
|
IC50 |
= |
2.1 |
nM |
504.59 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)C(=O)N2c1ncccn1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL4798217 |
OBDepict
O
HN
N
OH
N
CH
3
H
3
C
N
N
O
OH
|
IC50 |
= |
2.1 |
nM |
367.37 |
CC(C)(NC(=O)c1cnc(-n2cc(C(=O)O)cn2)nc1O)c1ccccc1 |
Homo sapiens |
CHEMBL4766422 |
cell-based format |
CHEMBL4462855 |
OBDepict
OH
O
NH
O
HO
O
N
O
Cl
|
IC50 |
= |
2.3 |
nM |
378.77 |
O=C(O)CNC(=O)c1c(O)c2c(n(Cc3ccc(Cl)cc3)c1=O)COC2 |
Homo sapiens |
CHEMBL4329854 |
cell-based format |
CHEMBL2041173 |
OBDepict
CH
3
O
N
N
N
O
N
O
N
N
H
3
C
N
N
H
|
IC50 |
= |
2.3 |
nM |
574.65 |
COc1cc(N2C(=O)N(c3ccc(-c4ccc5[nH]ncc5c4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL2043004 |
OBDepict
OH
N
N
N
O
N
O
N
N
CH
3
|
IC50 |
= |
2.5 |
nM |
520.59 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)C(=O)N2c1cc(O)ncn1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL4782037 |
OBDepict
O
N
H
N
OH
N
N
N
|
IC50 |
= |
2.5 |
nM |
383.41 |
O=C(NC(c1ccccc1)c1ccccc1)c1cnc(-c2cccnn2)nc1O |
Homo sapiens |
CHEMBL4766422 |
cell-based format |
CHEMBL4529447 |
OBDepict
HO
O
HN
O
OH
O
N
O
F
F
|
IC50 |
= |
2.6 |
nM |
380.3 |
O=C(O)CNC(=O)c1c(O)c2c(n(Cc3ccc(F)cc3F)c1=O)COC2 |
Homo sapiens |
CHEMBL4329854 |
cell-based format |
CHEMBL2041164 |
OBDepict
CH
3
O
N
N
N
O
N
O
N
N
H
3
C
S
O
OH
|
IC50 |
= |
2.8 |
nM |
584.66 |
COc1cc(N2C(=O)N(c3ccc(-c4csc(C(=O)O)c4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL4778991 |
OBDepict
Cl
NH
O
N
HO
N
N
N
|
IC50 |
= |
2.9 |
nM |
329.75 |
O=C(NCc1ccc(Cl)cc1)c1cnc(-n2cccn2)nc1O |
Homo sapiens |
CHEMBL4766422 |
cell-based format |
CHEMBL2043002 |
OBDepict
OH
N
N
N
O
N
O
N
N
CH
3
|
IC50 |
= |
3.0 |
nM |
520.59 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)C(=O)N2c1nccc(O)n1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL522419 |
OBDepict
OH
O
HN
O
N
N
N
|
IC50 |
= |
3.0 |
nM |
372.38 |
O=C(O)CNC(=O)c1nc(-c2ccccc2)cc2c1ncn2-c1ccccc1 |
Homo sapiens |
CHEMBL983464 |
single protein format |
CHEMBL3115300 |
OBDepict
OH
O
NH
O
OH
O
N
S
CH
3
|
IC50 |
= |
3.0 |
nM |
282.28 |
Cn1c(=O)c(C(=O)NCC(=O)O)c(O)c2sccc21 |
Homo sapiens |
CHEMBL3118619 |
single protein format |
CHEMBL3646117 |
OBDepict
O
O
N
H
3
C
CH
3
H
3
C
N
N
H
O
N
N
N
|
IC50 |
= |
3.0 |
nM |
328.33 |
CC(C)(C)OC(=O)c1ccc(-n2[nH]cc(-n3ccnn3)c2=O)nc1 |
Homo sapiens |
CHEMBL4340709 |
single protein format |
CHEMBL3115305 |
OBDepict
HO
O
N
H
O
OH
O
|
IC50 |
= |
3.0 |
nM |
247.21 |
O=C(O)CNC(=O)C1=C(O)c2ccccc2C1=O |
Homo sapiens |
CHEMBL3118619 |
single protein format |
CHEMBL520935 |
OBDepict
HO
O
N
S
OH
N
O
S
O
O
CH
3
CH
3
CH
3
|
IC50 |
= |
3.0 |
nM |
426.52 |
CC(C)(C)c1ccc(CS(=O)(=O)CC(=O)/N=c2/scc(CC(=O)O)n2O)cc1 |
Homo sapiens |
CHEMBL983035 |
single protein format |
CHEMBL4561977 |
OBDepict
HO
O
HN
O
OH
O
N
O
O
F
F
F
|
IC50 |
= |
3.1 |
nM |
428.32 |
O=C(O)CNC(=O)c1c(O)c2c(n(Cc3ccc(OC(F)(F)F)cc3)c1=O)COC2 |
Homo sapiens |
CHEMBL4329854 |
cell-based format |
CHEMBL2043007 |
OBDepict
OH
N
N
N
O
N
O
N
N
CH
3
|
IC50 |
= |
3.4 |
nM |
520.59 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)C(=O)N2c1ccnc(O)n1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL4788580 |
OBDepict
O
HN
N
OH
N
CH
3
H
3
C
N
N
|
IC50 |
= |
3.7 |
nM |
323.36 |
CC(C)(NC(=O)c1cnc(-n2cccn2)nc1O)c1ccccc1 |
Homo sapiens |
CHEMBL4766422 |
cell-based format |
CHEMBL2042996 |
OBDepict
O
N
O
N
N
CH
3
|
IC50 |
= |
3.8 |
nM |
425.53 |
Cc1cccnc1CN1CCC2(CC1)CC(=O)N(c1ccc(-c3ccccc3)cc1)C2=O |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL4476576 |
OBDepict
HO
O
N
H
O
OH
O
N
O
N
N
|
IC50 |
= |
3.8 |
nM |
410.39 |
O=C(O)CNC(=O)c1c(O)c2c(n(Cc3ccn(-c4ccccc4)n3)c1=O)COC2 |
Homo sapiens |
CHEMBL4329854 |
cell-based format |
CHEMBL2041167 |
OBDepict
OH
N
N
N
O
N
O
N
N
CH
3
N
N
HO
|
IC50 |
= |
3.9 |
nM |
538.57 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3cnc(O)nc3)cc1)C(=O)N2c1cc(O)ncn1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL2042853 |
OBDepict
CH
3
N
N
O
N
|
IC50 |
= |
4.0 |
nM |
459.59 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)c1ccccc12 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL4590677 |
OBDepict
HO
O
HN
O
OH
O
N
O
S
N
F
F
F
|
IC50 |
= |
4.0 |
nM |
419.34 |
O=C(O)CNC(=O)c1c(O)c2c(n(Cc3cnc(C(F)(F)F)s3)c1=O)COC2 |
Homo sapiens |
CHEMBL4329854 |
cell-based format |
CHEMBL4164978 |
OBDepict
HO
O
HN
O
OH
O
N
S
O
F
F
F
|
IC50 |
= |
4.1 |
nM |
506.46 |
O=C(O)CNC(=O)c1c(O)c2c(n(-c3ccc(-c4cccc(OC(F)(F)F)c4)cc3)c1=O)CSC2 |
Homo sapiens |
CHEMBL4149394 |
cell-based format |
CHEMBL2042992 |
OBDepict
N
N
O
N
N
CH
3
|
IC50 |
= |
4.1 |
nM |
484.6 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)c1ccc(C#N)cc12 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL2043008 |
OBDepict
OH
N
N
N
O
N
O
N
N
CH
3
|
IC50 |
= |
4.1 |
nM |
520.59 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)C(=O)N2c1ccc(O)nn1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL4443606 |
OBDepict
OH
O
N
H
O
HO
O
N
O
S
N
|
IC50 |
= |
4.2 |
nM |
387.37 |
O=C(O)CNC(=O)c1c(O)c2cccc3c2n(c1=O)C(c1cncs1)CO3 |
Homo sapiens |
CHEMBL4329854 |
cell-based format |
CHEMBL4474474 |
OBDepict
OH
O
NH
O
HO
O
N
O
N
O
|
IC50 |
= |
4.2 |
nM |
385.33 |
O=C(O)CNC(=O)c1c(O)c2c(n(Cc3nc4ccccc4o3)c1=O)COC2 |
Homo sapiens |
CHEMBL4329854 |
cell-based format |
CHEMBL4452138 |
OBDepict
OH
O
NH
O
HO
O
N
O
S
N
F
F
F
|
IC50 |
= |
4.3 |
nM |
419.34 |
O=C(O)CNC(=O)c1c(O)c2c(n(Cc3nc(C(F)(F)F)cs3)c1=O)COC2 |
Homo sapiens |
CHEMBL4329854 |
cell-based format |
CHEMBL2043006 |
OBDepict
OH
N
N
O
N
O
N
N
CH
3
|
IC50 |
= |
4.3 |
nM |
519.61 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)C(=O)N2c1cc(O)ccn1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL2043003 |
OBDepict
OH
N
N
O
N
O
N
N
CH
3
|
IC50 |
= |
4.3 |
nM |
519.61 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)C(=O)N2c1cccc(O)n1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL4462741 |
OBDepict
HO
O
HN
O
OH
O
N
O
F
F
F
|
IC50 |
= |
4.4 |
nM |
398.29 |
O=C(O)CNC(=O)c1c(O)c2c(n(Cc3cc(F)c(F)cc3F)c1=O)COC2 |
Homo sapiens |
CHEMBL4329854 |
cell-based format |
CHEMBL4564341 |
OBDepict
OH
O
NH
O
HO
O
N
Cl
F
F
F
|
IC50 |
= |
4.8 |
nM |
454.79 |
O=C(O)CNC(=O)c1c(O)c2ccc(Cl)cc2n(Cc2ccc(C(F)(F)F)cc2)c1=O |
Homo sapiens |
CHEMBL4329854 |
cell-based format |
CHEMBL4577928 |
OBDepict
HO
O
HN
O
OH
O
N
O
F
F
F
|
IC50 |
= |
4.9 |
nM |
412.32 |
O=C(O)CNC(=O)c1c(O)c2c(n(Cc3ccc(C(F)(F)F)cc3)c1=O)COC2 |
Homo sapiens |
CHEMBL4329854 |
cell-based format |
CHEMBL2041165 |
OBDepict
CH
3
O
N
N
N
O
N
O
N
N
H
3
C
O
O
OH
|
IC50 |
= |
4.9 |
nM |
568.59 |
COc1cc(N2C(=O)N(c3ccc(-c4coc(C(=O)O)c4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL4567141 |
OBDepict
HO
O
HN
O
OH
O
N
O
N
N
F
F
F
|
IC50 |
= |
4.9 |
nM |
414.3 |
O=C(O)CNC(=O)c1c(O)c2c(n(Cc3cnc(C(F)(F)F)cn3)c1=O)COC2 |
Homo sapiens |
CHEMBL4329854 |
cell-based format |
CHEMBL4796462 |
OBDepict
O
HN
N
OH
N
CH
3
H
N
N
|
IC50 |
= |
5.0 |
nM |
309.33 |
C[C@H](NC(=O)c1cnc(-n2cccn2)nc1O)c1ccccc1 |
Homo sapiens |
CHEMBL4766422 |
cell-based format |
CHEMBL2043327 |
OBDepict
O
N
N
O
N
N
OH
N
N
H
3
C
|
IC50 |
= |
5.0 |
nM |
526.64 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(C3CCCCC3)cc1)C(=O)N2c1cc(O)ncn1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL2043170 |
OBDepict
CH
3
O
N
N
N
O
N
O
N
N
H
3
C
O
OH
|
IC50 |
= |
5.0 |
nM |
578.63 |
COc1cc(N2C(=O)N(c3ccc(-c4ccccc4C(=O)O)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045986 |
cell-based format |
CHEMBL4458708 |
OBDepict
HO
O
HN
O
OH
O
N
O
N
F
F
F
|
IC50 |
= |
5.3 |
nM |
413.31 |
O=C(O)CNC(=O)c1c(O)c2c(n(Cc3ccc(C(F)(F)F)nc3)c1=O)COC2 |
Homo sapiens |
CHEMBL4329854 |
cell-based format |
CHEMBL4162309 |
OBDepict
HO
O
N
H
O
HO
O
N
O
N
S
|
IC50 |
= |
5.4 |
nM |
415.43 |
O=C(O)CNC(=O)c1c(O)c2c(n(Cc3nc4ccccc4s3)c1=O)CCOC2 |
Homo sapiens |
CHEMBL4149394 |
cell-based format |
CHEMBL4452218 |
OBDepict
OH
O
NH
O
OH
O
N
N
H
N
F
F
F
|
IC50 |
= |
5.4 |
nM |
448.36 |
O=C(O)CNC(=O)c1c(O)c2cccc3c2n(c1=O)CC(c1ccc(C(F)(F)F)nc1)N3 |
Homo sapiens |
CHEMBL4329854 |
cell-based format |
CHEMBL4780656 |
OBDepict
O
NH
N
OH
N
N
N
O
F
F
F
|
IC50 |
= |
5.6 |
nM |
379.3 |
O=C(NCc1ccc(OC(F)(F)F)cc1)c1cnc(-n2cccn2)nc1O |
Homo sapiens |
CHEMBL4766422 |
cell-based format |
CHEMBL4169558 |
OBDepict
HO
O
HN
O
OH
O
N
O
F
F
F
|
IC50 |
= |
5.8 |
nM |
398.29 |
O=C(O)CNC(=O)c1c(O)c2c(n(-c3ccc(C(F)(F)F)cc3)c1=O)COC2 |
Homo sapiens |
CHEMBL4149394 |
cell-based format |
CHEMBL4791127 |
OBDepict
O
N
H
N
OH
N
CH
3
H
3
C
N
O
OH
|
IC50 |
= |
6.0 |
nM |
378.39 |
CC(C)(NC(=O)c1cnc(-c2cc(C(=O)O)ccn2)nc1O)c1ccccc1 |
Homo sapiens |
CHEMBL4766422 |
cell-based format |