molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4877302 |
|
IC50 |
= |
52.0 |
nM |
438.92 |
CCc1cc(Nc2nc(NCc3ccc(Cl)cc3OC)nc3cccc(OC)c23)n[nH]1 |
Homo sapiens |
CHEMBL4810439 |
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 |
= |
57.8 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328432 |
single protein format |
CHEMBL3809796 |
OBDepict
O
N
H
HN
CH
3
N
H
O
F
N
H
O
N
N
N
H
|
IC50 |
= |
100.0 |
nM |
549.57 |
CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)c(C(=O)NCc3nccc4ccccc34)c2)NC(=O)N1 |
Homo sapiens |
CHEMBL3811361 |
single protein format |
CHEMBL101892 |
OBDepict
OH
H
O
H
OH
H
N
H
HO
N
O
NH
2
N
H
2
N
|
Ki |
= |
180.0 |
nM |
309.28 |
NC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |
Homo sapiens |
CHEMBL946634 |
single protein format |
CHEMBL4854871 |
OBDepict
CH
3
O
N
N
H
N
NH
N
N
CH
3
H
H
N
CH
3
F
|
IC50 |
= |
190.0 |
nM |
407.45 |
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc3cccc(OC)c23)n[nH]1 |
Homo sapiens |
CHEMBL4810439 |
single protein format |
CHEMBL4072828 |
OBDepict
O
HN
N
H
F
F
F
N
N
N
O
N
|
IC50 |
= |
270.0 |
nM |
494.48 |
O=C(NCc1ccccc1C(F)(F)F)c1cccc(NCc2nnc3n2CCOc2cnccc2-3)c1 |
Homo sapiens |
CHEMBL4040379 |
cell-based format |
CHEMBL60254 |
OBDepict
OH
HN
O
H
N
H
H
O
O
OH
HO
O
OH
O
HO
|
IC50 |
= |
340.0 |
nM |
550.52 |
O=C(N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL1106955 |
single protein format |
CHEMBL4847703 |
OBDepict
CH
3
O
N
NH
N
N
H
N
N
H
N
H
3
C
F
|
IC50 |
= |
450.0 |
nM |
393.43 |
CCc1cc(Nc2nc(NCc3ccc(F)cn3)nc3cccc(OC)c23)n[nH]1 |
Homo sapiens |
CHEMBL4810439 |
single protein format |