molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL1784637 |
|
IC50 |
= |
4.2 |
nM |
582.63 |
CNC(=O)c1ncc(C#Cc2cc(C(=O)Nc3ccc(CN4CCN(CCO)CC4)c(C(F)(F)F)c3)ccc2C)n1C |
Homo sapiens |
CHEMBL1785579 |
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 |
= |
56.3 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328402 |
single protein format |
CHEMBL4798527 |
OBDepict
H
3
C
N
H
N
O
N
NH
2
N
N
H
CH
3
F
F
F
H
HO
|
IC50 |
= |
143.0 |
nM |
548.57 |
Cc1ccc(NC(=O)c2ccc(C)c(C(F)(F)F)c2)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |
Homo sapiens |
CHEMBL4766183 |
single protein format |
CHEMBL4281823 |
OBDepict
CH
3
N
N
N
NH
2
N
O
O
F
F
F
|
IC50 |
= |
190.0 |
nM |
481.48 |
CCn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc21 |
Homo sapiens |
CHEMBL4261408 |
single protein format |
CHEMBL4793380 |
OBDepict
O
NH
N
H
N
O
H
3
C
H
3
C
CH
3
N
H
N
O
N
HN
|
IC50 |
= |
199.0 |
nM |
423.48 |
CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4c3OCCCN4)cc2)no1 |
Homo sapiens |
CHEMBL4767003 |
single protein format |
CHEMBL3715238 |
OBDepict
H
2
N
N
F
F
F
N
N
H
H
H
N
O
|
IC50 |
= |
665.0 |
nM |
419.45 |
Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(CC3CC3)n2)cc1C(F)(F)F |
Homo sapiens |
CHEMBL4120184 |
assay format |
CHEMBL103667 |
OBDepict
O
HN
N
H
N
N
CH
3
CH
3
CH
3
O
H
3
C
N
O
|
IC50 |
< |
1000.0 |
nM |
527.67 |
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1 |
Homo sapiens |
CHEMBL4602917 |
single protein format |