molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4867931 |
|
IC50 |
= |
-18400.0 |
nM |
464.55 |
COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 |
Homo sapiens |
CHEMBL4804403 |
cell-based format |
CHEMBL288441 |
OBDepict
CH
3
O
O
N
N
H
N
N
Cl
O
H
3
C
Cl
N
CH
3
|
IC50 |
= |
0.3 |
nM |
530.46 |
COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl |
Homo sapiens |
CHEMBL1244320 |
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 |
= |
0.309 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328465 |
single protein format |
CHEMBL4793665 |
OBDepict
CH
3
N
N
S
N
O
NH
2
N
|
IC50 |
= |
6.4 |
nM |
395.53 |
CCN1CCC(c2ncc(-c3cnc(N)c(OCc4ccncc4)c3)s2)CC1 |
Homo sapiens |
CHEMBL4674069 |
single protein format |
CHEMBL3770443 |
OBDepict
CH
3
HN
N
N
N
O
H
O
O
Cl
H
H
2
N
N
CH
3
|
IC50 |
= |
10.0 |
nM |
492.97 |
CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |
Homo sapiens |
CHEMBL3772530 |
single protein format |
CHEMBL4281823 |
OBDepict
CH
3
N
N
N
NH
2
N
O
O
F
F
F
|
IC50 |
= |
37.0 |
nM |
481.48 |
CCn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc21 |
Homo sapiens |
CHEMBL4261412 |
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 |
= |
711.0 |
nM |
423.48 |
CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4c3OCCCN4)cc2)no1 |
Homo sapiens |
CHEMBL4767011 |
single protein format |
CHEMBL3577124 |
OBDepict
CH
3
N
H
N
N
N
H
3
C
CH
3
NH
F
N
H
O
H
3
C
CH
3
H
3
C
|
IC50 |
= |
970.0 |
nM |
424.52 |
CNc1ncc2cc(-c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)c(C)nc2n1 |
Homo sapiens |
CHEMBL3578904 |
cell-based format |