molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4744916 |
|
IC50 |
= |
100.0 |
nM |
566.71 |
N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(N)=O |
Homo sapiens |
CHEMBL4689810 |
assay format |
CHEMBL4761806 |
OBDepict
NH
2
N
H
H
N
H
O
O
H
N
O
O
NH
2
|
IC50 |
= |
130.0 |
nM |
529.64 |
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(=O)Nc1cccc(C(N)=O)c1 |
Homo sapiens |
CHEMBL4689810 |
assay format |
CHEMBL4740501 |
OBDepict
NH
2
HN
H
NH
O
O
H
3
C
H
H
N
O
H
2
N
O
|
IC50 |
= |
340.0 |
nM |
481.6 |
C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(N)=O |
Homo sapiens |
CHEMBL4689810 |
assay format |
CHEMBL4796649 |
OBDepict
NH
2
N
H
H
N
H
O
O
H
N
O
NH
2
O
|
IC50 |
= |
340.0 |
nM |
529.64 |
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(=O)Nc1ccccc1C(N)=O |
Homo sapiens |
CHEMBL4689810 |
assay format |
CHEMBL4792508 |
OBDepict
H
2
N
NH
H
N
O
H
3
C
O
H
H
N
O
NH
2
O
NH
2
|
IC50 |
= |
470.0 |
nM |
552.72 |
CN(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)[C@@H](CCCCN)C(N)=O |
Homo sapiens |
CHEMBL4689810 |
assay format |
CHEMBL4742945 |
OBDepict
H
2
N
NH
H
HN
O
O
H
H
N
O
NH
2
O
|
IC50 |
= |
490.0 |
nM |
557.7 |
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |
Homo sapiens |
CHEMBL4689810 |
assay format |
CHEMBL4757419 |
OBDepict
H
2
N
N
H
H
N
H
O
O
H
H
N
O
NH
2
O
HN
NH
NH
2
HO
|
IC50 |
= |
500.0 |
nM |
532.65 |
N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)cc1)C(N)=O |
Homo sapiens |
CHEMBL4689810 |
assay format |
CHEMBL4764028 |
OBDepict
H
2
N
NH
H
N
O
H
3
C
O
CH
3
H
H
N
O
NH
2
O
|
IC50 |
= |
580.0 |
nM |
495.62 |
C[C@@H](C(N)=O)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12 |
Homo sapiens |
CHEMBL4689810 |
assay format |
CHEMBL4756093 |
OBDepict
H
2
N
NH
H
N
O
H
3
C
O
H
H
N
O
NH
2
O
HN
NH
H
2
N
|
IC50 |
= |
600.0 |
nM |
580.73 |
CN(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)[C@@H](CCCNC(=N)N)C(N)=O |
Homo sapiens |
CHEMBL4689810 |
assay format |
CHEMBL4781749 |
OBDepict
NH
2
N
H
H
HN
O
O
H
N
N
N
H
O
|
IC50 |
= |
740.0 |
nM |
540.67 |
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(=O)NCc1nc2ccccc2[nH]1 |
Homo sapiens |
CHEMBL4689810 |
assay format |
CHEMBL4751138 |
OBDepict
H
2
N
NH
H
HN
O
O
H
H
N
O
NH
2
O
NH
2
|
IC50 |
= |
780.0 |
nM |
538.69 |
NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(N)=O |
Homo sapiens |
CHEMBL4689810 |
assay format |
CHEMBL4745007 |
OBDepict
H
2
N
NH
H
HN
O
O
H
H
N
O
NH
2
O
OH
|
IC50 |
= |
840.0 |
nM |
573.69 |
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |
Homo sapiens |
CHEMBL4689810 |
assay format |
CHEMBL4796778 |
OBDepict
H
2
N
NH
H
HN
O
O
H
H
N
O
NH
2
O
N
H
HN
NH
2
F
|
IC50 |
= |
880.0 |
nM |
584.7 |
N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(F)c2ccccc12)C(N)=O |
Homo sapiens |
CHEMBL4689810 |
assay format |
CHEMBL4797618 |
OBDepict
H
2
N
NH
H
HN
O
O
H
H
N
O
NH
2
O
N
H
HN
NH
2
N
|
IC50 |
= |
890.0 |
nM |
567.7 |
N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2cccnc12)C(N)=O |
Homo sapiens |
CHEMBL4689810 |
assay format |
CHEMBL4781220 |
OBDepict
NH
2
N
H
H
N
H
O
O
H
N
O
|
IC50 |
= |
970.0 |
nM |
536.68 |
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(=O)Nc1cccc2ccccc12 |
Homo sapiens |
CHEMBL4689810 |
assay format |
CHEMBL4762276 |
OBDepict
H
2
N
N
H
H
N
H
O
O
H
H
N
O
NH
2
O
NH
2
HO
|
IC50 |
= |
1000.0 |
nM |
504.63 |
NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)cc1)C(N)=O |
Homo sapiens |
CHEMBL4726854 |
cell-based format |