molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL261720 |
|
IC50 |
= |
29.2 |
nM |
425.45 |
Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=S)Nc1c(F)cccc1F |
Homo sapiens |
CHEMBL4003367 |
assay format |
CHEMBL1230165 |
OBDepict
Cl
N
H
N
N
O
HO
|
IC50 |
= |
41.0 |
nM |
349.78 |
O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12 |
Homo sapiens |
CHEMBL1663331 |
single protein format |
CHEMBL3774448 |
OBDepict
S
N
H
S
O
N
|
IC50 |
= |
86.6 |
nM |
272.35 |
O=C1NC(=S)S/C1=Cc1ccc2ncccc2c1 |
Homo sapiens |
CHEMBL3778447 |
assay format |
CHEMBL3885431 |
OBDepict
N
N
N
H
O
CH
3
|
IC50 |
= |
180.0 |
nM |
273.3 |
COc1cccc2c1[nH]c1c3ccncc3cc(C#N)c21 |
Homo sapiens |
CHEMBL3875860 |
assay format |
CHEMBL3883660 |
OBDepict
N
N
N
H
O
CH
3
|
IC50 |
= |
190.0 |
nM |
273.3 |
COc1ccc2c(c1)[nH]c1c3ccncc3cc(C#N)c21 |
Homo sapiens |
CHEMBL3875860 |
assay format |
CHEMBL3884821 |
OBDepict
H
3
C
O
N
H
N
O
CH
3
N
|
IC50 |
= |
320.0 |
nM |
303.32 |
COc1ccc2c(c1)[nH]c1c3c(OC)cncc3cc(C#N)c21 |
Homo sapiens |
CHEMBL3875860 |
assay format |
CHEMBL1551169 |
OBDepict
CH
3
CH
3
CH
3
N
H
N
N
O
O
|
IC50 |
= |
435.0 |
nM |
335.41 |
CC(C)(C)CNc1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 |
Homo sapiens |
CHEMBL1772036 |
single protein format |
CHEMBL1236620 |
OBDepict
CH
3
O
O
N
CH
3
N
H
2
N
Cl
Cl
|
IC50 |
= |
530.0 |
nM |
338.19 |
CCOC(=O)c1c(/C(C#N)=CN)c2ccc(Cl)c(Cl)c2n1C |
Homo sapiens |
CHEMBL2394350 |
assay format |
CHEMBL4090007 |
OBDepict
CH
3
O
O
N
CH
3
N
H
2
N
Cl
Cl
|
IC50 |
= |
530.0 |
nM |
338.19 |
CCOC(=O)c1c(/C(C#N)=C/N)c2ccc(Cl)c(Cl)c2n1C |
Homo sapiens |
CHEMBL4003367 |
assay format |
CHEMBL388978 |
OBDepict
CH
3
HN
H
H
O
H
O
N
H
3
C
H
3
C
N
O
N
H
|
IC50 |
= |
530.0 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4720774 |
single protein format |
CHEMBL3883639 |
OBDepict
N
N
N
H
O
CH
3
|
IC50 |
= |
710.0 |
nM |
273.3 |
COc1ccc2[nH]c3c4ccncc4cc(C#N)c3c2c1 |
Homo sapiens |
CHEMBL3875860 |
assay format |