molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL388978 |
|
IC50 |
= |
6.9 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL963379 |
single protein format |
CHEMBL4754081 |
OBDepict
CH
3
NH
O
H
H
N
H
O
N
F
N
N
H
3
C
H
3
C
|
IC50 |
= |
20.0 |
nM |
413.5 |
CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnn4c3CC(C)(C)C4)c(F)cn2)C1 |
Homo sapiens |
CHEMBL4678898 |
single protein format |
CHEMBL4462530 |
OBDepict
CH
3
NH
O
H
H
N
H
O
N
Cl
N
N
H
3
C
H
3
C
|
IC50 |
= |
23.0 |
nM |
429.95 |
CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnn4c3CC(C)(C)C4)c(Cl)cn2)C1 |
Homo sapiens |
CHEMBL4678898 |
single protein format |
CHEMBL4579344 |
OBDepict
CH
3
N
H
3
C
N
H
N
N
N
N
H
N
H
3
C
H
CH
3
H
3
C
OH
H
3
C
H
|
IC50 |
= |
29.0 |
nM |
383.5 |
Cc1cc(C)c(CNc2nc(N[C@@H](C)[C@@H](C)O)nc3c2ncn3C(C)C)cn1 |
Homo sapiens |
CHEMBL4346793 |
single protein format |
CHEMBL4754399 |
OBDepict
H
3
C
NH
O
H
H
N
H
O
N
Cl
N
N
|
IC50 |
= |
84.0 |
nM |
415.93 |
CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnn4c3CCCC4)c(Cl)cn2)C1 |
Homo sapiens |
CHEMBL4678898 |
single protein format |
CHEMBL3673434 |
OBDepict
H
3
C
O
F
N
N
H
O
H
H
NH
O
H
3
C
|
IC50 |
= |
219.0 |
nM |
385.44 |
COc1cc(F)ccc1-c1ccnc(NC(=O)[C@H]2CCC[C@@H](NC(C)=O)C2)c1 |
Homo sapiens |
CHEMBL3707640 |
single protein format |