molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4877302 |
|
IC50 |
= |
22.0 |
nM |
438.92 |
CCc1cc(Nc2nc(NCc3ccc(Cl)cc3OC)nc3cccc(OC)c23)n[nH]1 |
Homo sapiens |
CHEMBL4810442 |
single protein format |
CHEMBL4854871 |
OBDepict
CH
3
O
N
N
H
N
NH
N
N
CH
3
H
H
N
CH
3
F
|
IC50 |
= |
97.0 |
nM |
407.45 |
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc3cccc(OC)c23)n[nH]1 |
Homo sapiens |
CHEMBL4810442 |
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 |
= |
113.0 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328435 |
single protein format |
CHEMBL4847703 |
OBDepict
CH
3
O
N
NH
N
N
H
N
N
H
N
H
3
C
F
|
IC50 |
= |
190.0 |
nM |
393.43 |
CCc1cc(Nc2nc(NCc3ccc(F)cn3)nc3cccc(OC)c23)n[nH]1 |
Homo sapiens |
CHEMBL4810442 |
single protein format |
CHEMBL60254 |
OBDepict
OH
HN
O
H
N
H
H
O
O
OH
HO
O
OH
O
HO
|
IC50 |
= |
260.0 |
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 |
CHEMBL1106958 |
single protein format |
CHEMBL4568087 |
OBDepict
H
3
C
N
N
N
N
N
S
N
H
O
H
H
H
2
N
|
IC50 |
= |
260.0 |
nM |
421.53 |
Cn1cc(-c2cnc3c(-c4csc(C(=O)N[C@@H]5CCCC[C@@H]5N)c4)cnn3c2)cn1 |
Homo sapiens |
CHEMBL4479722 |
assay format |
CHEMBL4552628 |
OBDepict
Cl
N
N
N
H
3
C
S
N
H
O
H
H
H
2
N
F
F
|
IC50 |
= |
670.0 |
nM |
425.89 |
Cc1sc(C(=O)N[C@@H]2[C@H](N)CCCC2(F)F)cc1-c1cnn2cc(Cl)cnc12 |
Homo sapiens |
CHEMBL4479722 |
assay format |