molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4460840 |
|
Ki |
= |
0.04 |
nM |
502.55 |
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)P(=O)(O)C[C@@H](Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL4413958 |
single protein format |
CHEMBL4436298 |
OBDepict
H
3
C
CH
3
N
H
H
NH
O
O
CH
3
P
H
O
OH
H
O
OH
|
Ki |
= |
0.08 |
nM |
516.58 |
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)P(=O)(O)C[C@@H](CCc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL4413958 |
single protein format |
CHEMBL4528407 |
OBDepict
H
3
C
CH
3
N
H
H
N
H
O
O
CH
3
P
CH
3
H
O
OH
H
O
HO
|
Ki |
= |
0.14 |
nM |
440.48 |
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)P(=O)(O)C[C@@H](CCc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL4413965 |
single protein format |
CHEMBL4483485 |
OBDepict
H
3
C
HN
O
H
N
H
O
P
CH
3
H
O
OH
OH
H
O
HO
|
Ki |
= |
0.16 |
nM |
490.49 |
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)P(=O)(O)C[C@@H](CCc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL4413965 |
single protein format |
CHEMBL4513310 |
OBDepict
H
2
N
O
O
N
H
O
H
HN
O
P
CH
3
H
O
OH
OH
H
O
OH
|
Ki |
= |
0.3 |
nM |
593.61 |
C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCN)P(=O)(O)C[C@@H](CCc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL4413958 |
single protein format |
CHEMBL4532731 |
OBDepict
NH
2
HN
H
N
H
O
O
CH
3
P
H
3
C
H
O
OH
H
O
HO
|
Ki |
= |
1.2 |
nM |
455.49 |
CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)P(=O)(O)C[C@@H](CCc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL4413958 |
single protein format |
CHEMBL4453900 |
OBDepict
H
3
C
N
O
H
N
H
O
P
CH
3
H
O
OH
H
O
HO
|
Ki |
= |
1.7 |
nM |
424.43 |
CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)P(=O)(O)C[C@@H](CCc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL4413958 |
single protein format |
CHEMBL4448096 |
OBDepict
H
3
C
NH
O
H
N
H
O
P
H
3
C
H
O
HO
O
OH
H
O
OH
|
Ki |
= |
3.1 |
nM |
456.43 |
CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)P(=O)(O)C[C@@H](CCc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL4413958 |
single protein format |
CHEMBL4440735 |
OBDepict
OH
N
H
H
N
H
O
O
CH
3
P
CH
3
H
O
OH
H
O
HO
|
Ki |
= |
5.9 |
nM |
414.4 |
CC(=O)N[C@@H](CO)C(=O)N[C@@H](C)P(=O)(O)C[C@@H](CCc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL4413958 |
single protein format |
CHEMBL407567 |
OBDepict
H
O
OH
+
N
O
_
O
|
Ki |
= |
150.0 |
nM |
209.2 |
O=C(O)[C@H](Cc1ccccc1)C[N+](=O)[O-] |
Homo sapiens |
CHEMBL932478 |
single protein format |
CHEMBL571509 |
OBDepict
O
+
N
H
O
_
O
O
HO
|
Ki |
= |
160.0 |
nM |
251.24 |
O=C(C[C@@H](Cc1ccccc1)C(=O)O)C[N+](=O)[O-] |
Homo sapiens |
CHEMBL1041001 |
single protein format |
CHEMBL565957 |
OBDepict
OH
O
O
F
F
F
|
Ki |
= |
200.0 |
nM |
260.21 |
O=C(O)C(CC(=O)C(F)(F)F)Cc1ccccc1 |
Homo sapiens |
CHEMBL1041001 |
single protein format |
CHEMBL161702 |
OBDepict
OH
O
N
OH
O
|
Ki |
= |
320.0 |
nM |
313.35 |
O=C(O)C(Cc1ccccc1)CN(O)C(=O)Cc1ccccc1 |
Homo sapiens |
CHEMBL655433 |
single protein format |
CHEMBL151284 |
OBDepict
HO
O
O
OH
|
IC50 |
= |
400.0 |
nM |
208.21 |
O=C(O)CC(Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL655431 |
cell-free format |
CHEMBL571291 |
OBDepict
O
+
N
O
_
O
O
OH
|
Ki |
= |
430.0 |
nM |
251.24 |
O=C(CC(Cc1ccccc1)C(=O)O)C[N+](=O)[O-] |
Homo sapiens |
CHEMBL1041001 |
single protein format |
CHEMBL259621 |
OBDepict
H
O
HO
O
HO
|
Ki |
= |
450.0 |
nM |
208.21 |
O=C(O)C[C@@H](Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL932478 |
single protein format |
CHEMBL161819 |
OBDepict
O
N
HO
H
O
HO
|
Ki |
= |
560.0 |
nM |
223.23 |
O=CN(O)C[C@@H](Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL655433 |
single protein format |
CHEMBL261331 |
OBDepict
HO
O
+
N
O
_
O
|
Ki |
= |
790.0 |
nM |
209.2 |
O=C(O)C(Cc1ccccc1)C[N+](=O)[O-] |
Homo sapiens |
CHEMBL932478 |
single protein format |
CHEMBL161705 |
OBDepict
O
N
OH
O
HO
|
Ki |
= |
980.0 |
nM |
223.23 |
O=CN(O)CC(Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL655433 |
single protein format |