molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL119116 |
|
IC50 |
= |
6.6 |
nM |
426.32 |
CCCCCCCCOc1c(Cl)cc(CNCCCP(=O)(O)O)cc1Cl |
Homo sapiens |
CHEMBL807594 |
cell-based format |
CHEMBL119440 |
OBDepict
H
3
C
O
H
3
C
CH
3
N
H
P
O
OH
OH
|
IC50 |
= |
15.0 |
nM |
385.49 |
CCCCCCCCOc1c(C)cc(CNCCCP(=O)(O)O)cc1C |
Homo sapiens |
CHEMBL807594 |
cell-based format |
CHEMBL441826 |
OBDepict
H
3
C
O
Br
O
CH
3
N
H
P
O
OH
OH
|
IC50 |
= |
18.0 |
nM |
494.41 |
CCCCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC |
Homo sapiens |
CHEMBL807594 |
cell-based format |
CHEMBL332667 |
OBDepict
H
3
C
O
Br
Br
N
H
P
O
OH
OH
|
IC50 |
= |
23.0 |
nM |
515.22 |
CCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1Br |
Homo sapiens |
CHEMBL807594 |
cell-based format |
CHEMBL119256 |
OBDepict
CH
3
N
H
P
O
OH
OH
|
IC50 |
= |
26.0 |
nM |
341.43 |
CCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL807594 |
cell-based format |
CHEMBL331054 |
OBDepict
H
3
C
O
CH
3
N
H
P
O
OH
OH
|
IC50 |
= |
32.0 |
nM |
371.46 |
CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1C |
Homo sapiens |
CHEMBL807594 |
cell-based format |
CHEMBL118783 |
OBDepict
CH
3
O
Br
O
H
3
C
N
H
P
O
OH
OH
|
IC50 |
= |
33.0 |
nM |
452.33 |
CCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC |
Homo sapiens |
CHEMBL807594 |
cell-based format |
CHEMBL119354 |
OBDepict
H
3
C
O
Br
N
H
P
O
OH
OH
|
IC50 |
= |
36.0 |
nM |
436.33 |
CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1Br |
Homo sapiens |
CHEMBL807594 |
cell-based format |
CHEMBL118860 |
OBDepict
H
3
C
N
H
P
O
OH
OH
|
IC50 |
= |
40.0 |
nM |
355.46 |
CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL807594 |
cell-based format |
CHEMBL118815 |
OBDepict
CH
3
O
Br
O
H
3
C
N
H
P
O
OH
OH
|
IC50 |
= |
42.0 |
nM |
508.43 |
CCCCCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC |
Homo sapiens |
CHEMBL807594 |
cell-based format |
CHEMBL119413 |
OBDepict
H
3
C
O
Cl
N
H
P
O
OH
OH
|
IC50 |
= |
55.0 |
nM |
391.88 |
CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1Cl |
Homo sapiens |
CHEMBL807594 |
cell-based format |
CHEMBL117715 |
OBDepict
H
3
C
O
Cl
O
CH
3
N
H
P
O
OH
OH
|
IC50 |
= |
57.0 |
nM |
421.9 |
CCCCCCCCOc1c(Cl)cc(CNCCCP(=O)(O)O)cc1OC |
Homo sapiens |
CHEMBL807594 |
cell-based format |
CHEMBL119873 |
OBDepict
H
3
C
O
F
N
H
P
O
OH
OH
|
IC50 |
= |
59.0 |
nM |
375.42 |
CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1F |
Homo sapiens |
CHEMBL807594 |
cell-based format |
CHEMBL333335 |
OBDepict
CH
3
O
N
H
P
O
OH
OH
|
IC50 |
= |
74.0 |
nM |
371.46 |
CCCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL807594 |
cell-based format |
CHEMBL117723 |
OBDepict
H
3
C
O
Br
O
CH
3
N
H
P
O
OH
OH
|
IC50 |
= |
80.0 |
nM |
466.35 |
CCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC |
Homo sapiens |
CHEMBL807594 |
cell-based format |
CHEMBL432813 |
OBDepict
H
3
C
O
H
3
C
O
CH
3
N
H
P
O
OH
OH
|
IC50 |
= |
89.0 |
nM |
401.48 |
CCCCCCCCOc1c(C)cc(CNCCCP(=O)(O)O)cc1OC |
Homo sapiens |
CHEMBL807594 |
cell-based format |
CHEMBL116981 |
OBDepict
CH
3
N
H
P
O
OH
OH
|
IC50 |
= |
120.0 |
nM |
389.48 |
CCCCCCc1ccc(-c2ccc(CNCCCP(=O)(O)O)cc2)cc1 |
Homo sapiens |
CHEMBL807594 |
cell-based format |
CHEMBL323617 |
OBDepict
CH
3
O
N
N
N
H
P
O
OH
OH
|
IC50 |
= |
120.0 |
nM |
395.44 |
CCCCCCCc1nc(-c2ccc(CNCCCP(=O)(O)O)cc2)no1 |
Homo sapiens |
CHEMBL807594 |
cell-based format |
CHEMBL115970 |
OBDepict
H
3
C
O
N
H
P
O
OH
OH
|
IC50 |
= |
250.0 |
nM |
369.44 |
CCCCCCCCC(=O)c1ccc(CNCCCP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL807594 |
cell-based format |
CHEMBL325247 |
OBDepict
H
3
C
O
Br
O
CH
3
N
H
P
O
OH
OH
|
IC50 |
= |
260.0 |
nM |
438.3 |
CCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC |
Homo sapiens |
CHEMBL807594 |
cell-based format |
CHEMBL119382 |
OBDepict
H
3
C
N
N
N
N
HN
P
O
OH
HO
|
IC50 |
= |
270.0 |
nM |
395.44 |
CCCCCCCn1nnc(-c2ccc(CNCCCP(=O)(O)O)cc2)n1 |
Homo sapiens |
CHEMBL807594 |
cell-based format |
CHEMBL324820 |
OBDepict
H
3
C
O
O
CH
3
N
H
P
O
OH
OH
|
IC50 |
= |
420.0 |
nM |
401.48 |
CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1OCC |
Homo sapiens |
CHEMBL807594 |
cell-based format |
CHEMBL118508 |
OBDepict
H
3
C
O
O
CH
3
N
H
P
O
OH
OH
|
IC50 |
= |
450.0 |
nM |
387.46 |
CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1OC |
Homo sapiens |
CHEMBL807594 |
cell-based format |
CHEMBL332373 |
OBDepict
H
3
C
O
N
H
P
O
OH
OH
|
IC50 |
= |
530.0 |
nM |
357.43 |
CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL807594 |
cell-based format |
CHEMBL117403 |
OBDepict
H
3
C
O
O
N
H
P
O
OH
OH
|
IC50 |
= |
700.0 |
nM |
371.41 |
CCCCCCCOC(=O)c1ccc(CNCCCP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL807594 |
cell-based format |
CHEMBL381470 |
OBDepict
H
3
C
O
O
O
P
O
OH
_
O
+
K
|
Ki |
= |
745.0 |
nM |
390.5 |
CCCCCCCCCCCCC1OCC(COP(=O)([O-])O)O1.[K+] |
Homo sapiens |
CHEMBL862794 |
cell-based format |
CHEMBL3975893 |
OBDepict
CH
3
O
CH
3
O
N
O
H
3
C
O
O
HO
Cl
|
IC50 |
= |
790.0 |
nM |
574.07 |
COc1cc(C(=O)N(CCCc2ccccc2)Cc2ccc(Oc3ccc(Cl)cc3C(=O)O)cc2)cc(OC)c1C |
Homo sapiens |
CHEMBL3859971 |
single protein format |