molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL549359 |
|
IC50 |
= |
21.0 |
nM |
332.44 |
C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3O |
Homo sapiens |
CHEMBL4687284 |
tissue-based format |
CHEMBL1235110 |
OBDepict
H
3
C
HN
N
N
N
H
O
NH
2
H
H
H
2
N
|
IC50 |
= |
48.0 |
nM |
340.43 |
Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1 |
Homo sapiens |
CHEMBL4687291 |
tissue-based format |
CHEMBL1873475 |
OBDepict
CH
2
N
O
H
N
N
N
N
H
2
N
O
|
IC50 |
= |
120.0 |
nM |
440.51 |
C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 |
Homo sapiens |
CHEMBL4687297 |
tissue-based format |
CHEMBL3936761 |
OBDepict
H
2
C
N
O
H
N
N
N
H
O
H
2
N
O
|
IC50 |
= |
510.0 |
nM |
471.56 |
C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1 |
Homo sapiens |
CHEMBL4687297 |
tissue-based format |