molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL1778526 |
|
IC50 |
= |
1.5 |
nM |
530.67 |
CC(C)CC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O |
Homo sapiens |
CHEMBL1780285 |
tissue-based format |
CHEMBL42583 |
OBDepict
H
2
N
HN
H
NH
O
S
O
O
CH
3
H
O
HO
N
H
O
H
O
OH
HO
|
IC50 |
= |
3.4 |
nM |
584.69 |
CS(=O)(=O)N[C@@H](CCCCN)C(=O)NC[C@H](CC1(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)CCCC1)C(=O)O |
Homo sapiens |
CHEMBL1780285 |
tissue-based format |
CHEMBL1778529 |
OBDepict
CH
3
NH
H
O
OH
N
H
O
H
O
OH
O
N
|
IC50 |
= |
25.0 |
nM |
443.5 |
CCC[C@H](NC1(C(=O)N[C@@H](Cc2nc(-c3ccccc3)co2)C(=O)O)CCCC1)C(=O)O |
Homo sapiens |
CHEMBL1780285 |
tissue-based format |
CHEMBL1778536 |
OBDepict
CH
3
O
N
H
H
O
HO
N
H
O
H
O
HO
O
N
N
|
IC50 |
= |
58.0 |
nM |
460.49 |
COCC[C@H](NC1(C(=O)N[C@@H](Cc2nc(-c3ccccc3)no2)C(=O)O)CCCC1)C(=O)O |
Homo sapiens |
CHEMBL1780285 |
tissue-based format |
CHEMBL1778528 |
OBDepict
CH
3
NH
H
O
OH
N
H
O
H
O
OH
O
N
H
3
C
CH
3
|
IC50 |
= |
75.0 |
nM |
423.51 |
CCC[C@H](NC1(C(=O)N[C@@H](Cc2nc(CC(C)C)co2)C(=O)O)CCCC1)C(=O)O |
Homo sapiens |
CHEMBL1780285 |
tissue-based format |
CHEMBL1778530 |
OBDepict
CH
3
N
H
H
O
OH
N
H
O
H
O
OH
N
O
|
IC50 |
= |
82.0 |
nM |
443.5 |
CCC[C@H](NC1(C(=O)N[C@@H](Cc2ncc(-c3ccccc3)o2)C(=O)O)CCCC1)C(=O)O |
Homo sapiens |
CHEMBL1780285 |
tissue-based format |
CHEMBL1778527 |
OBDepict
CH
3
NH
H
O
OH
N
H
O
H
O
OH
O
N
CH
3
|
IC50 |
= |
130.0 |
nM |
395.46 |
CCC[C@H](NC1(C(=O)N[C@@H](Cc2nc(CC)co2)C(=O)O)CCCC1)C(=O)O |
Homo sapiens |
CHEMBL1780285 |
tissue-based format |
CHEMBL1778531 |
OBDepict
CH
3
O
N
H
H
O
HO
N
H
O
H
O
HO
O
N
|
IC50 |
= |
130.0 |
nM |
459.5 |
COCC[C@H](NC1(C(=O)N[C@@H](Cc2nc(-c3ccccc3)co2)C(=O)O)CCCC1)C(=O)O |
Homo sapiens |
CHEMBL1780285 |
tissue-based format |
CHEMBL1778534 |
OBDepict
CH
3
O
HN
H
O
HO
N
H
O
H
O
HO
N
O
Cl
|
IC50 |
= |
195.0 |
nM |
493.94 |
COCC[C@H](NC1(C(=O)N[C@@H](Cc2ncc(-c3ccc(Cl)cc3)o2)C(=O)O)CCCC1)C(=O)O |
Homo sapiens |
CHEMBL1780285 |
tissue-based format |
CHEMBL1778533 |
OBDepict
H
3
C
O
NH
H
O
OH
N
H
O
H
O
OH
O
N
H
3
C
|
IC50 |
= |
210.0 |
nM |
473.53 |
COCC[C@H](NC1(C(=O)N[C@@H](Cc2nc(C)c(-c3ccccc3)o2)C(=O)O)CCCC1)C(=O)O |
Homo sapiens |
CHEMBL1780285 |
tissue-based format |
CHEMBL1778532 |
OBDepict
H
3
C
O
NH
H
O
OH
N
H
O
H
O
OH
N
O
|
IC50 |
= |
270.0 |
nM |
459.5 |
COCC[C@H](NC1(C(=O)N[C@@H](Cc2ncc(-c3ccccc3)o2)C(=O)O)CCCC1)C(=O)O |
Homo sapiens |
CHEMBL1780285 |
tissue-based format |