molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL119723 |
|
IC50 |
= |
5.0 |
nM |
369.37 |
NC(CC1CCCCC1)P(=O)(O)C/C(=Cc1ccc(F)cc1)C(=O)O |
Homo sapiens |
CHEMBL801733 |
single protein format |
CHEMBL117337 |
OBDepict
NH
2
P
O
OH
O
HO
Br
|
IC50 |
= |
6.0 |
nM |
430.28 |
NC(CC1CCCCC1)P(=O)(O)C/C(=Cc1ccc(Br)cc1)C(=O)O |
Homo sapiens |
CHEMBL801733 |
single protein format |
CHEMBL326292 |
OBDepict
NH
2
P
O
OH
O
HO
I
|
IC50 |
= |
8.0 |
nM |
477.28 |
NC(CC1CCCCC1)P(=O)(O)C/C(=Cc1ccc(I)cc1)C(=O)O |
Homo sapiens |
CHEMBL801733 |
single protein format |
CHEMBL333841 |
OBDepict
OH
O
P
O
HO
NH
2
F
F
F
|
IC50 |
= |
10.0 |
nM |
419.38 |
NC(CC1CCCCC1)P(=O)(O)C/C(=Cc1ccc(C(F)(F)F)cc1)C(=O)O |
Homo sapiens |
CHEMBL801733 |
single protein format |
CHEMBL119055 |
OBDepict
NH
2
P
O
OH
O
HO
F
|
IC50 |
= |
15.0 |
nM |
369.37 |
NC(CC1CCCCC1)P(=O)(O)C/C(=C/c1ccc(F)cc1)C(=O)O |
Homo sapiens |
CHEMBL801733 |
single protein format |
CHEMBL332970 |
OBDepict
OH
O
P
O
HO
NH
2
Cl
Cl
|
IC50 |
= |
20.0 |
nM |
420.27 |
NC(CC1CCCCC1)P(=O)(O)C/C(=Cc1ccc(Cl)c(Cl)c1)C(=O)O |
Homo sapiens |
CHEMBL801733 |
single protein format |
CHEMBL334279 |
OBDepict
NH
2
P
O
OH
O
HO
I
|
IC50 |
= |
25.0 |
nM |
477.28 |
NC(CC1CCCCC1)P(=O)(O)C/C(=C/c1ccc(I)cc1)C(=O)O |
Homo sapiens |
CHEMBL801733 |
single protein format |
CHEMBL120600 |
OBDepict
NH
2
P
O
OH
O
HO
Br
|
IC50 |
= |
30.0 |
nM |
430.28 |
NC(CC1CCCCC1)P(=O)(O)C/C(=C/c1ccc(Br)cc1)C(=O)O |
Homo sapiens |
CHEMBL801733 |
single protein format |
CHEMBL334143 |
OBDepict
OH
O
P
O
HO
NH
2
Cl
F
|
IC50 |
= |
30.0 |
nM |
403.82 |
NC(CC1CCCCC1)P(=O)(O)C/C(=Cc1ccc(F)c(Cl)c1)C(=O)O |
Homo sapiens |
CHEMBL801733 |
single protein format |
CHEMBL332290 |
OBDepict
OH
O
P
O
HO
NH
2
Br
F
|
IC50 |
= |
40.0 |
nM |
448.27 |
NC(CC1CCCCC1)P(=O)(O)C/C(=Cc1ccc(F)c(Br)c1)C(=O)O |
Homo sapiens |
CHEMBL801733 |
single protein format |
CHEMBL122415 |
OBDepict
I
O
OH
P
O
HO
NH
2
|
IC50 |
= |
45.0 |
nM |
477.28 |
NC(CC1CCCCC1)P(=O)(O)C/C(=Cc1cccc(I)c1)C(=O)O |
Homo sapiens |
CHEMBL801733 |
single protein format |
CHEMBL119261 |
OBDepict
H
2
N
P
O
OH
O
OH
H
2
N
|
IC50 |
= |
70.0 |
nM |
366.4 |
Nc1ccc(/C=C(CP(=O)(O)C(N)CC2CCCCC2)C(=O)O)cc1 |
Homo sapiens |
CHEMBL801733 |
single protein format |
CHEMBL325021 |
OBDepict
OH
O
P
O
HO
NH
2
I
|
IC50 |
= |
100.0 |
nM |
477.28 |
NC(CC1CCCCC1)P(=O)(O)C/C(=Cc1ccccc1I)C(=O)O |
Homo sapiens |
CHEMBL801733 |
single protein format |
CHEMBL120198 |
OBDepict
H
2
N
P
O
OH
O
OH
H
2
N
|
IC50 |
= |
150.0 |
nM |
366.4 |
Nc1ccc(/C=C(/CP(=O)(O)C(N)CC2CCCCC2)C(=O)O)cc1 |
Homo sapiens |
CHEMBL801733 |
single protein format |
CHEMBL119118 |
OBDepict
OH
O
P
O
HO
NH
2
Cl
Cl
|
IC50 |
= |
200.0 |
nM |
420.27 |
NC(CC1CCCCC1)P(=O)(O)C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)O |
Homo sapiens |
CHEMBL801733 |
single protein format |
CHEMBL420537 |
OBDepict
OH
O
P
O
HO
NH
2
F
F
F
|
IC50 |
= |
200.0 |
nM |
419.38 |
NC(CC1CCCCC1)P(=O)(O)C/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)O |
Homo sapiens |
CHEMBL801733 |
single protein format |
CHEMBL118190 |
OBDepict
I
O
OH
P
O
HO
NH
2
|
IC50 |
= |
250.0 |
nM |
477.28 |
NC(CC1CCCCC1)P(=O)(O)C/C(=C/c1cccc(I)c1)C(=O)O |
Homo sapiens |
CHEMBL801733 |
single protein format |
CHEMBL119392 |
OBDepict
OH
O
P
O
HO
NH
2
Cl
F
|
IC50 |
= |
350.0 |
nM |
403.82 |
NC(CC1CCCCC1)P(=O)(O)C/C(=C/c1ccc(F)c(Cl)c1)C(=O)O |
Homo sapiens |
CHEMBL801733 |
single protein format |
CHEMBL331554 |
OBDepict
OH
O
P
O
HO
NH
2
I
|
IC50 |
= |
1000.0 |
nM |
477.28 |
NC(CC1CCCCC1)P(=O)(O)C/C(=C/c1ccccc1I)C(=O)O |
Homo sapiens |
CHEMBL801733 |
single protein format |