molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL566515 |
|
IC50 |
= |
15.0 |
nM |
417.43 |
COc1ccccc1-n1c(-c2cc(O)ccc2C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 |
Homo sapiens |
CHEMBL1046779 |
single protein format |
CHEMBL4638981 |
OBDepict
O
N
H
H
3
C
Cl
N
N
N
N
N
H
N
|
IC50 |
= |
19.5 |
nM |
507.99 |
Cc1ccc(C(=O)Nc2ccc(CN3Cc4cn[nH]c4C3)c(Cl)c2)cc1C#Cc1cnc2cccnn12 |
Homo sapiens |
CHEMBL4605666 |
single protein format |
CHEMBL4640297 |
OBDepict
O
N
H
CH
3
Cl
N
N
N
N
HN
N
|
IC50 |
= |
50.5 |
nM |
524.03 |
Cc1ccc(C(=O)Nc2ccc(CN3CCC4C=NNC4C3)c(Cl)c2)cc1C#Cc1cnc2cccnn12 |
Homo sapiens |
CHEMBL4605666 |
single protein format |
CHEMBL1078739 |
OBDepict
Cl
N
H
O
N
N
|
IC50 |
= |
60.0 |
nM |
347.81 |
O=C(Nc1ccccc1Cl)c1cnc2ccc(-c3ccccc3)cn12 |
Homo sapiens |
CHEMBL1107575 |
single protein format |
CHEMBL1078214 |
OBDepict
O
N
H
N
N
Cl
N
|
IC50 |
= |
63.0 |
nM |
354.84 |
O=C(Nc1ccccc1Cl)c1cnn2ccc(N3CCCCC3)cc12 |
Homo sapiens |
CHEMBL1107575 |
single protein format |
CHEMBL1078107 |
OBDepict
Cl
N
H
O
N
N
|
IC50 |
= |
66.0 |
nM |
347.81 |
O=C(Nc1ccccc1Cl)c1cnn2ccc(-c3ccccc3)cc12 |
Homo sapiens |
CHEMBL1107575 |
single protein format |
CHEMBL1077571 |
OBDepict
O
N
H
N
N
Cl
N
H
3
C
CH
3
|
IC50 |
= |
77.0 |
nM |
314.78 |
CN(C)c1ccn2ncc(C(=O)Nc3ccccc3Cl)c2c1 |
Homo sapiens |
CHEMBL1107575 |
single protein format |
CHEMBL1077739 |
OBDepict
O
N
H
N
N
Cl
N
H
OH
O
O
HO
|
IC50 |
= |
79.0 |
nM |
444.88 |
O=C(Nc1ccccc1Cl)c1cnc2ccc(C3CCNCC3)cn12.O=C(O)C(=O)O |
Homo sapiens |
CHEMBL1107575 |
single protein format |
CHEMBL1078840 |
OBDepict
O
N
H
N
N
Cl
N
|
IC50 |
= |
87.0 |
nM |
354.84 |
O=C(Nc1ccccc1Cl)c1cnc2ccc(N3CCCCC3)cn12 |
Homo sapiens |
CHEMBL1107575 |
single protein format |
CHEMBL1077741 |
OBDepict
Br
N
N
N
H
O
H
3
C
Cl
|
IC50 |
= |
173.0 |
nM |
364.63 |
Cc1nc2ccc(Br)cn2c1C(=O)Nc1ccccc1Cl |
Homo sapiens |
CHEMBL1107575 |
single protein format |
CHEMBL1080959 |
OBDepict
H
3
C
O
N
N
N
H
O
Cl
|
IC50 |
= |
190.0 |
nM |
301.73 |
COc1ccn2ncc(C(=O)Nc3ccccc3Cl)c2c1 |
Homo sapiens |
CHEMBL1107575 |
single protein format |
CHEMBL1078108 |
OBDepict
O
NH
N
N
Cl
N
|
IC50 |
= |
200.0 |
nM |
336.78 |
O=C(Nc1ccccc1Cl)c1cnn2ccc(-n3cccc3)cc12 |
Homo sapiens |
CHEMBL1107575 |
single protein format |
CHEMBL1077740 |
OBDepict
O
N
H
N
N
Cl
OH
HN
|
IC50 |
= |
228.0 |
nM |
370.84 |
O=C(Nc1ccccc1Cl)c1cnc2ccc(C3(O)CCNCC3)cn12 |
Homo sapiens |
CHEMBL1107575 |
single protein format |
CHEMBL1078109 |
OBDepict
O
N
H
N
N
Cl
N
O
|
IC50 |
= |
240.0 |
nM |
356.81 |
O=C(Nc1ccccc1Cl)c1cnn2ccc(N3CCOCC3)cc12 |
Homo sapiens |
CHEMBL1107575 |
single protein format |
CHEMBL1081498 |
OBDepict
CH
3
N
N
N
H
O
Cl
|
IC50 |
= |
260.0 |
nM |
285.73 |
Cc1ccn2ncc(C(=O)Nc3ccccc3Cl)c2c1 |
Homo sapiens |
CHEMBL1107575 |
single protein format |
CHEMBL1916891 |
OBDepict
CH
3
N
H
3
C
N
O
CH
3
F
N
N
N
N
H
CH
3
|
IC50 |
= |
350.0 |
nM |
432.5 |
Cc1ccccc1Nc1nc2cc(F)c(N(C)C(=O)/C=C/CN(C)C)cc2n2cncc12 |
Homo sapiens |
CHEMBL1919061 |
single protein format |
CHEMBL1078738 |
OBDepict
Cl
N
H
O
N
N
|
IC50 |
= |
460.0 |
nM |
271.71 |
O=C(Nc1ccccc1Cl)c1cnc2ccccn12 |
Homo sapiens |
CHEMBL1107575 |
single protein format |
CHEMBL388978 |
OBDepict
CH
3
HN
H
H
O
H
O
N
H
3
C
H
3
C
N
O
N
H
|
IC50 |
= |
741.0 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4720743 |
single protein format |
CHEMBL1078785 |
OBDepict
Cl
N
H
O
N
N
|
IC50 |
= |
1000.0 |
nM |
271.71 |
O=C(Nc1ccccc1Cl)c1cnn2ccccc12 |
Homo sapiens |
CHEMBL1107575 |
single protein format |