molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4110944 |
|
IC50 |
= |
3.7 |
nM |
457.57 |
CC(C)C[C@H](S)C(=O)N1C[C@@H](F)C[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](C(=O)O)C1 |
Homo sapiens |
CHEMBL3887729 |
single protein format |
CHEMBL3954917 |
OBDepict
H
3
C
CH
3
SH
H
N
O
H
N
O
H
N
O
CH
3
CH
3
H
O
HO
|
IC50 |
= |
3.9 |
nM |
427.57 |
CC(C)C[C@H](S)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](C)C(=O)O |
Homo sapiens |
CHEMBL3887729 |
single protein format |
CHEMBL3932740 |
OBDepict
CH
3
CH
3
SH
H
N
O
H
N
O
H
N
O
H
O
HO
|
IC50 |
= |
9.7 |
nM |
439.58 |
CC(C)C[C@H](S)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)O |
Homo sapiens |
CHEMBL3887729 |
single protein format |
CHEMBL3960222 |
OBDepict
H
3
C
CH
3
HS
H
N
O
H
N
O
H
N
O
H
O
HO
|
IC50 |
= |
26.0 |
nM |
439.58 |
CC(C)C[C@H](S)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CC[C@H](C(=O)O)C1 |
Homo sapiens |
CHEMBL3887729 |
single protein format |
CHEMBL2369868 |
OBDepict
CH
3
H
3
C
NH
2
H
OH
H
N
O
H
N
H
O
CH
3
H
O
H
2
N
|
IC50 |
= |
230.0 |
nM |
328.41 |
CC(C)C[C@@H](N)[C@H](O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O |
Homo sapiens |
CHEMBL644753 |
assay format |
CHEMBL2369858 |
OBDepict
CH
3
H
3
C
NH
2
H
OH
H
N
O
H
N
H
O
CH
3
H
O
H
2
N
|
IC50 |
= |
430.0 |
nM |
328.41 |
CC(C)C[C@H](N)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O |
Homo sapiens |
CHEMBL644753 |
assay format |