molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL388978 |
|
IC50 |
= |
0.343 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328543 |
single protein format |
CHEMBL4282837 |
OBDepict
H
3
C
O
H
H
HN
H
3
C
O
N
CH
3
H
N
HO
N
H
O
OH
|
IC50 |
= |
1.0 |
nM |
498.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccc(O)cc3c3c4c(c5c6cc(O)ccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4271290 |
assay format |
CHEMBL3609327 |
OBDepict
CH
3
N
N
O
N
N
H
Cl
S
N
N
N
H
3
C
|
IC50 |
= |
19.3 |
nM |
558.11 |
CCn1c(=O)c(-c2ccc(-c3cncs3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21 |
Homo sapiens |
CHEMBL3611428 |
single protein format |
CHEMBL3609326 |
OBDepict
CH
3
N
N
O
N
N
H
Cl
Cl
F
N
NH
|
IC50 |
= |
55.3 |
nM |
513.4 |
CCn1c(=O)c(-c2ccc(Cl)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21 |
Homo sapiens |
CHEMBL3611547 |
single protein format |
CHEMBL2386715 |
OBDepict
H
3
C
O
N
N
N
NH
F
N
N
N
H
N
H
|
IC50 |
= |
64.1 |
nM |
422.47 |
COCCN(Cc1cc(F)cc2[nH]ncc12)c1nccc(Nc2cc(C3CC3)[nH]n2)n1 |
Homo sapiens |
CHEMBL2388903 |
cell-based format |
CHEMBL2386717 |
OBDepict
OH
N
H
3
C
N
N
HN
F
N
N
N
H
N
H
|
IC50 |
= |
70.8 |
nM |
422.47 |
CC(CO)N(Cc1cc(F)cc2[nH]ncc12)c1nccc(Nc2cc(C3CC3)[nH]n2)n1 |
Homo sapiens |
CHEMBL2388903 |
cell-based format |
CHEMBL3128043 |
OBDepict
H
3
C
N
CH
3
N
H
H
N
O
CH
3
H
3
C
N
HN
N
H
N
S
CH
3
N
|
IC50 |
= |
99.0 |
nM |
490.64 |
Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)c2sccc2n1 |
Homo sapiens |
CHEMBL3611422 |
single protein format |
CHEMBL2386716 |
OBDepict
H
N
N
N
H
N
N
N
H
H
3
C
H
N
H
|
IC50 |
= |
133.0 |
nM |
373.46 |
C[C@H](Nc1nccc(Nc2cc(C3CCC3)[nH]n2)n1)c1ccc2[nH]ccc2c1 |
Homo sapiens |
CHEMBL2388903 |
cell-based format |
CHEMBL2386718 |
OBDepict
H
N
N
N
H
F
F
N
N
N
H
CH
3
H
N
N
H
|
IC50 |
= |
244.0 |
nM |
396.41 |
C[C@H](Nc1nccc(Nc2cc(C3CC3(F)F)[nH]n2)n1)c1ccc2[nH]cnc2c1 |
Homo sapiens |
CHEMBL2388903 |
cell-based format |