molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4470490 |
|
IC50 |
= |
4.0 |
nM |
496.63 |
CSc1ccccc1[C@H]1CCCN1C(=O)CNC(=O)NCc1ccc2c(c1)[C@H]1C[C@@H](N2)[C@H](O)CO1 |
Homo sapiens |
CHEMBL4364109 |
single protein format |
CHEMBL3799661 |
OBDepict
CH
3
S
N
H
H
N
O
N
H
O
H
S
H
3
C
NH
2
|
Ki |
= |
99.0 |
nM |
472.68 |
CSCC[C@H](NC(=O)NCc1ccc(N)cc1)C(=O)N1CCC[C@H]1c1ccccc1SC |
Homo sapiens |
CHEMBL3801393 |
single protein format |
CHEMBL4466871 |
OBDepict
H
3
C
N
O
N
H
HN
HN
O
N
O
H
S
H
3
C
|
IC50 |
= |
190.0 |
nM |
509.68 |
CCN1Cc2cc(CNC(=O)NCC(=O)N3CCC[C@@H]3c3ccccc3SC)ccc2NCCC1=O |
Homo sapiens |
CHEMBL4364108 |
cell-based format |
CHEMBL4464178 |
OBDepict
O
N
H
N
O
O
NH
|
IC50 |
= |
600.0 |
nM |
367.45 |
O=C(CN1C(=O)C2C3CCC(C3)C2C1=O)NCc1ccc2c(c1)CCCN2 |
Homo sapiens |
CHEMBL4364109 |
single protein format |
CHEMBL3647433 |
OBDepict
CH
3
S
N
O
N
H
NH
O
H
2
N
|
IC50 |
= |
640.0 |
nM |
398.53 |
CSc1ccccc1C1CCCN1C(=O)CNC(=O)NCc1ccc(N)cc1 |
Homo sapiens |
CHEMBL3707519 |
single protein format |
CHEMBL3647436 |
OBDepict
CH
3
S
NH
N
O
HN
O
S
CH
3
H
2
N
|
IC50 |
= |
660.0 |
nM |
472.68 |
CSCCC(NC(=O)NCc1ccc(N)cc1)C(=O)N1CCCC1c1ccccc1SC |
Homo sapiens |
CHEMBL3707519 |
single protein format |
CHEMBL4547673 |
OBDepict
O
N
H
N
O
O
H
H
H
H
NH
H
O
H
H
HO
|
IC50 |
= |
735.0 |
nM |
425.49 |
O=C(CN1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1=O)NCc1ccc2c(c1)[C@H]1C[C@@H](N2)[C@H](O)CO1 |
Homo sapiens |
CHEMBL4364108 |
cell-based format |
CHEMBL3799597 |
OBDepict
O
N
H
N
H
N
O
H
H
2
N
Br
|
Ki |
= |
950.0 |
nM |
431.33 |
Nc1ccc(CNC(=O)NCC(=O)N2CCC[C@@H]2c2ccccc2Br)cc1 |
Homo sapiens |
CHEMBL3801393 |
single protein format |