molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL202361 |
|
Ki |
= |
5.0 |
nM |
440.54 |
CCCCCCCC(=O)OC[C@H](COP(O)(O)=S)OC(=O)CCCCCCC |
Homo sapiens |
CHEMBL865902 |
cell-based format |
CHEMBL202361 |
OBDepict
CH
3
O
O
O
H
O
O
P
S
HO
OH
H
3
C
|
IC50 |
= |
11.0 |
nM |
440.54 |
CCCCCCCC(=O)OC[C@H](COP(O)(O)=S)OC(=O)CCCCCCC |
Homo sapiens |
CHEMBL865902 |
cell-based format |
CHEMBL191365 |
OBDepict
H
3
C
O
P
S
HO
OH
|
Ki |
= |
14.0 |
nM |
282.39 |
CCCCCCCCCCCCOP(O)(O)=S |
Homo sapiens |
CHEMBL829832 |
cell-based format |
CHEMBL187402 |
OBDepict
H
3
C
O
P
S
HO
OH
|
Ki |
= |
14.0 |
nM |
308.42 |
CCCC/C=C/CCCCCCCCOP(O)(O)=S |
Homo sapiens |
CHEMBL829832 |
cell-based format |
CHEMBL190484 |
OBDepict
H
3
C
O
P
S
HO
OH
|
Ki |
= |
14.0 |
nM |
280.37 |
CC/C=C/CCCCCCCCOP(O)(O)=S |
Homo sapiens |
CHEMBL829832 |
cell-based format |
CHEMBL190349 |
OBDepict
CH
3
O
P
O
OH
OH
|
Ki |
= |
27.0 |
nM |
264.3 |
CC/C=C/CCCCCCCCOP(=O)(O)O |
Homo sapiens |
CHEMBL829832 |
cell-based format |
CHEMBL202185 |
OBDepict
H
3
C
O
O
O
H
O
O
P
O
OH
OH
CH
3
|
Ki |
= |
39.0 |
nM |
424.47 |
CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC |
Homo sapiens |
CHEMBL865902 |
cell-based format |
CHEMBL188591 |
OBDepict
CH
3
O
P
O
OH
OH
|
Ki |
= |
40.0 |
nM |
292.36 |
CC/C=C/CCCCCCCCCCOP(=O)(O)O |
Homo sapiens |
CHEMBL829832 |
cell-based format |
CHEMBL187795 |
OBDepict
H
3
C
O
P
S
HO
OH
|
Ki |
= |
49.0 |
nM |
254.33 |
CCCCCCCCCCOP(O)(O)=S |
Homo sapiens |
CHEMBL829832 |
cell-based format |
CHEMBL203986 |
OBDepict
H
3
C
O
O
H
O
P
O
OH
HO
CH
3
|
Ki |
= |
50.0 |
nM |
396.51 |
CCCCCCCCOC[C@@H](COP(=O)(O)O)OCCCCCCCC |
Homo sapiens |
CHEMBL865902 |
cell-based format |
CHEMBL190430 |
OBDepict
CH
3
O
P
O
OH
OH
|
Ki |
= |
58.0 |
nM |
292.36 |
CCCC/C=C/CCCCCCCCOP(=O)(O)O |
Homo sapiens |
CHEMBL829832 |
cell-based format |
CHEMBL427017 |
OBDepict
CH
3
O
O
H
O
P
S
OH
OH
H
3
C
|
Ki |
= |
67.0 |
nM |
412.57 |
CCCCCCCCOC[C@@H](COP(O)(O)=S)OCCCCCCCC |
Homo sapiens |
CHEMBL865902 |
cell-based format |
CHEMBL189296 |
OBDepict
H
3
C
O
P
S
HO
OH
|
Ki |
= |
76.0 |
nM |
310.44 |
CCCCCCCCCCCCCCOP(O)(O)=S |
Homo sapiens |
CHEMBL829832 |
cell-based format |
CHEMBL202185 |
OBDepict
H
3
C
O
O
O
H
O
O
P
O
OH
OH
CH
3
|
IC50 |
= |
85.0 |
nM |
424.47 |
CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC |
Homo sapiens |
CHEMBL865902 |
cell-based format |
CHEMBL440396 |
OBDepict
CH
3
N
H
O
NH
H
O
O
P
S
HO
OH
H
3
C
|
Ki |
= |
117.0 |
nM |
438.57 |
CCCCCCCCNC(=O)[C@H](COP(O)(O)=S)NC(=O)CCCCCCC |
Homo sapiens |
CHEMBL865902 |
cell-based format |
CHEMBL379248 |
OBDepict
CH
3
N
H
O
NH
H
O
O
P
S
HO
OH
H
3
C
|
Ki |
= |
118.0 |
nM |
438.57 |
CCCCCCCCNC(=O)[C@@H](COP(O)(O)=S)NC(=O)CCCCCCC |
Homo sapiens |
CHEMBL865902 |
cell-based format |
CHEMBL383095 |
OBDepict
H
3
C
O
O
O
H
O
O
P
O
OH
OH
CH
3
|
Ki |
= |
119.0 |
nM |
424.47 |
CCCCCCCC(=O)OC[C@@H](COP(=O)(O)O)OC(=O)CCCCCCC |
Homo sapiens |
CHEMBL865902 |
cell-based format |
CHEMBL187711 |
OBDepict
CH
3
O
P
O
OH
OH
|
Ki |
= |
121.0 |
nM |
266.32 |
CCCCCCCCCCCCOP(=O)(O)O |
Homo sapiens |
CHEMBL829832 |
cell-based format |
CHEMBL361255 |
OBDepict
CH
3
O
P
O
OH
OH
|
Ki |
= |
121.0 |
nM |
238.26 |
CCCCCCCCCCOP(=O)(O)O |
Homo sapiens |
CHEMBL829832 |
cell-based format |
CHEMBL363935 |
OBDepict
H
2
C
O
P
S
HO
OH
|
Ki |
= |
128.0 |
nM |
252.32 |
C=CCCCCCCCCOP(O)(O)=S |
Homo sapiens |
CHEMBL829832 |
cell-based format |
CHEMBL203986 |
OBDepict
H
3
C
O
O
H
O
P
O
OH
HO
CH
3
|
IC50 |
= |
143.0 |
nM |
396.51 |
CCCCCCCCOC[C@@H](COP(=O)(O)O)OCCCCCCCC |
Homo sapiens |
CHEMBL865902 |
cell-based format |
CHEMBL482505 |
OBDepict
CH
3
O
O
O
H
O
O
P
O
OH
HO
H
3
C
|
IC50 |
= |
143.0 |
nM |
396.42 |
CCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCC |
Homo sapiens |
CHEMBL955653 |
single protein format |
CHEMBL361501 |
OBDepict
HO
O
S
O
N
N
H
CH
3
O
O
CH
3
Cl
|
Ki |
= |
148.0 |
nM |
474.97 |
Cc1noc(-c2ccc(CSCCC(=O)O)cc2)c1NC(=O)OC(C)c1ccccc1Cl |
Homo sapiens |
CHEMBL829832 |
cell-based format |
CHEMBL427017 |
OBDepict
CH
3
O
O
H
O
P
S
OH
OH
H
3
C
|
IC50 |
= |
184.0 |
nM |
412.57 |
CCCCCCCCOC[C@@H](COP(O)(O)=S)OCCCCCCCC |
Homo sapiens |
CHEMBL865902 |
cell-based format |
CHEMBL482506 |
OBDepict
H
3
C
O
O
O
H
O
O
P
S
OH
OH
CH
3
|
IC50 |
= |
184.0 |
nM |
412.49 |
CCCCCCC(=O)OC[C@H](COP(O)(O)=S)OC(=O)CCCCCC |
Homo sapiens |
CHEMBL955653 |
single protein format |
CHEMBL204037 |
OBDepict
H
3
C
N
H
O
HN
H
O
O
P
O
OH
OH
CH
3
|
Ki |
= |
196.0 |
nM |
422.5 |
CCCCCCCCNC(=O)[C@H](COP(=O)(O)O)NC(=O)CCCCCCC |
Homo sapiens |
CHEMBL865902 |
cell-based format |
CHEMBL191055 |
OBDepict
H
3
C
O
O
O
H
O
O
P
O
O
OH
P
O
OH
OH
CH
3
|
Ki |
= |
202.0 |
nM |
504.45 |
CCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)O)OC(=O)CCCCCCC |
Homo sapiens |
CHEMBL829832 |
cell-based format |
CHEMBL383095 |
OBDepict
H
3
C
O
O
O
H
O
O
P
O
OH
OH
CH
3
|
IC50 |
= |
207.0 |
nM |
424.47 |
CCCCCCCC(=O)OC[C@@H](COP(=O)(O)O)OC(=O)CCCCCCC |
Homo sapiens |
CHEMBL865902 |
cell-based format |
CHEMBL187633 |
OBDepict
CH
3
O
P
O
OH
OH
|
Ki |
= |
211.0 |
nM |
294.37 |
CCCCCCCCCCCCCCOP(=O)(O)O |
Homo sapiens |
CHEMBL829832 |
cell-based format |
CHEMBL604677 |
OBDepict
OH
O
O
N
O
O
+
N
O
_
O
|
Ki |
= |
230.0 |
nM |
404.33 |
O=C(O)c1ccc2c(c1)C(=O)N(c1cccc(Oc3ccc([N+](=O)[O-])cc3)c1)C2=O |
Homo sapiens |
CHEMBL1064670 |
single protein format |
CHEMBL440396 |
OBDepict
CH
3
N
H
O
NH
H
O
O
P
S
HO
OH
H
3
C
|
IC50 |
= |
251.0 |
nM |
438.57 |
CCCCCCCCNC(=O)[C@H](COP(O)(O)=S)NC(=O)CCCCCCC |
Homo sapiens |
CHEMBL865902 |
cell-based format |
CHEMBL379248 |
OBDepict
CH
3
N
H
O
NH
H
O
O
P
S
HO
OH
H
3
C
|
IC50 |
= |
302.0 |
nM |
438.57 |
CCCCCCCCNC(=O)[C@@H](COP(O)(O)=S)NC(=O)CCCCCCC |
Homo sapiens |
CHEMBL865902 |
cell-based format |
CHEMBL363067 |
OBDepict
H
3
C
P
O
OH
OH
|
Ki |
= |
303.0 |
nM |
250.32 |
CCCCCCCCCCCCP(=O)(O)O |
Homo sapiens |
CHEMBL829832 |
cell-based format |
CHEMBL188081 |
OBDepict
CH
3
O
P
O
OH
OH
|
Ki |
= |
370.0 |
nM |
236.25 |
CCCCC/C=C/CCCOP(=O)(O)O |
Homo sapiens |
CHEMBL829832 |
cell-based format |
CHEMBL204037 |
OBDepict
H
3
C
N
H
O
HN
H
O
O
P
O
OH
OH
CH
3
|
IC50 |
= |
414.0 |
nM |
422.5 |
CCCCCCCCNC(=O)[C@H](COP(=O)(O)O)NC(=O)CCCCCCC |
Homo sapiens |
CHEMBL865902 |
cell-based format |
CHEMBL202251 |
OBDepict
H
3
C
N
H
O
HN
H
O
O
P
O
OH
OH
CH
3
|
Ki |
= |
489.0 |
nM |
422.5 |
CCCCCCCCNC(=O)[C@@H](COP(=O)(O)O)NC(=O)CCCCCCC |
Homo sapiens |
CHEMBL865902 |
cell-based format |
CHEMBL363776 |
OBDepict
CH
2
O
P
O
OH
OH
|
Ki |
= |
504.0 |
nM |
236.25 |
C=CCCCCCCCCOP(=O)(O)O |
Homo sapiens |
CHEMBL829832 |
cell-based format |
CHEMBL188859 |
OBDepict
CH
3
P
F
F
O
OH
HO
|
Ki |
= |
575.0 |
nM |
328.38 |
CCCCCCCCCCCCCCC(F)(F)P(=O)(O)O |
Homo sapiens |
CHEMBL829832 |
cell-based format |
CHEMBL188083 |
OBDepict
H
3
C
P
O
OH
OH
|
Ki |
= |
680.0 |
nM |
222.26 |
CCCCCCCCCCP(=O)(O)O |
Homo sapiens |
CHEMBL829832 |
cell-based format |
CHEMBL202251 |
OBDepict
H
3
C
N
H
O
HN
H
O
O
P
O
OH
OH
CH
3
|
IC50 |
= |
935.0 |
nM |
422.5 |
CCCCCCCCNC(=O)[C@@H](COP(=O)(O)O)NC(=O)CCCCCCC |
Homo sapiens |
CHEMBL865902 |
cell-based format |