molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL319144 |
|
IC50 |
= |
3.0 |
nM |
322.15 |
O=P(O)(O)C(O)(Cc1cnc2ccccn12)P(=O)(O)O |
Homo sapiens |
CHEMBL1109110 |
single protein format |
CHEMBL446734 |
OBDepict
OH
P
O
OH
P
O
OH
HO
N
N
|
IC50 |
= |
9.03 |
nM |
256.09 |
O=P(O)(O)C(Cn1ccnc1)P(=O)(O)O |
Homo sapiens |
CHEMBL1036745 |
assay format |
CHEMBL340034 |
OBDepict
H
N
+
N
P
P
OH
O
OH
OH
O
HO
OH
|
Ki |
= |
10.0 |
nM |
273.1 |
O=P(O)(O)C(O)(C[n+]1cc[nH]c1)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL923 |
OBDepict
OH
P
O
OH
P
OH
O
OH
HO
N
|
IC50 |
= |
10.0 |
nM |
283.11 |
O=P(O)(O)C(O)(Cc1cccnc1)P(=O)(O)O |
Homo sapiens |
CHEMBL677586 |
single protein format |
CHEMBL55140 |
OBDepict
H
3
C
N
N
H
P
P
O
OH
HO
O
HO
OH
|
Ki |
= |
11.0 |
nM |
282.13 |
Cc1cccnc1NC(P(=O)(O)O)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL3087938 |
OBDepict
OH
P
O
OH
P
HN
O
HO
HO
N
N
S
F
F
|
IC50 |
= |
11.0 |
nM |
477.32 |
O=P(O)(O)C(Nc1ncnc2sc(-c3ccc(C4CC4(F)F)cc3)cc12)P(=O)(O)O |
Homo sapiens |
CHEMBL3091236 |
single protein format |
CHEMBL2088336 |
OBDepict
OH
P
O
OH
P
HN
O
HO
HO
N
O
|
IC50 |
= |
12.0 |
nM |
400.26 |
O=P(O)(O)C(Nc1cc(-c2ccc(OC3CC3)cc2)ccn1)P(=O)(O)O |
Homo sapiens |
CHEMBL2092208 |
assay format |
CHEMBL434024 |
OBDepict
OH
P
O
OH
P
OH
O
OH
HO
N
|
Ki |
= |
14.0 |
nM |
283.11 |
O=P(O)(O)C(O)(Cc1ccccn1)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL3087936 |
OBDepict
OH
P
O
OH
P
HN
O
HO
HO
N
N
S
O
|
IC50 |
= |
14.0 |
nM |
457.34 |
O=P(O)(O)C(Nc1ncnc2sc(-c3ccc(OC4CC4)cc3)cc12)P(=O)(O)O |
Homo sapiens |
CHEMBL3091236 |
single protein format |
CHEMBL301065 |
OBDepict
OH
P
O
OH
P
N
H
O
OH
HO
N
|
Ki |
= |
15.0 |
nM |
268.1 |
O=P(O)(O)C(Nc1cccnc1)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL3087933 |
OBDepict
CH
3
O
S
N
N
N
H
P
P
O
OH
HO
O
HO
OH
|
IC50 |
= |
15.0 |
nM |
431.3 |
COc1ccc(-c2cc3c(NC(P(=O)(O)O)P(=O)(O)O)ncnc3s2)cc1 |
Homo sapiens |
CHEMBL3091236 |
single protein format |
CHEMBL294192 |
OBDepict
OH
P
O
OH
P
O
HO
HO
N
H
N
|
Ki |
= |
16.0 |
nM |
282.13 |
O=P(O)(O)C(CNc1ccccn1)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL923 |
OBDepict
OH
P
O
OH
P
OH
O
OH
HO
N
|
Ki |
= |
16.0 |
nM |
283.11 |
O=P(O)(O)C(O)(Cc1cccnc1)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL56253 |
OBDepict
OH
P
O
OH
P
N
H
O
OH
HO
|
Ki |
= |
16.0 |
nM |
273.16 |
O=P(O)(O)C(NC1CCCCC1)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL2088339 |
OBDepict
HO
P
O
OH
P
N
H
O
OH
HO
N
O
|
IC50 |
= |
16.0 |
nM |
400.26 |
O=P(O)(O)C(Nc1cncc(-c2ccc(OC3CC3)cc2)c1)P(=O)(O)O |
Homo sapiens |
CHEMBL2092208 |
assay format |
CHEMBL457423 |
OBDepict
OH
P
O
OH
P
O
OH
HO
N
N
|
IC50 |
= |
16.1 |
nM |
306.15 |
O=P(O)(O)C(Cn1cnc2ccccc21)P(=O)(O)O |
Homo sapiens |
CHEMBL1036745 |
assay format |
CHEMBL437758 |
OBDepict
OH
P
O
OH
P
F
O
OH
HO
N
|
IC50 |
= |
16.4 |
nM |
285.1 |
O=P(O)(O)C(F)(Cc1cccnc1)P(=O)(O)O |
Homo sapiens |
CHEMBL902037 |
assay format |
CHEMBL55557 |
OBDepict
H
3
C
N
N
H
P
P
O
OH
OH
O
HO
HO
|
Ki |
= |
17.0 |
nM |
282.13 |
Cc1ccnc(NC(P(=O)(O)O)P(=O)(O)O)c1 |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL99553 |
OBDepict
CH
3
+
N
P
P
OH
O
OH
HO
O
HO
OH
|
IC50 |
= |
19.6 |
nM |
298.15 |
C[n+]1cccc(CC(O)(P(=O)(O)O)P(=O)(O)O)c1 |
Homo sapiens |
CHEMBL924794 |
assay format |
CHEMBL997 |
OBDepict
CH
3
N
CH
3
P
P
OH
O
OH
HO
O
HO
OH
|
IC50 |
= |
20.0 |
nM |
319.23 |
CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O |
Homo sapiens |
CHEMBL677586 |
single protein format |
CHEMBL55608 |
OBDepict
H
3
C
N
H
P
P
O
OH
OH
O
HO
HO
|
Ki |
= |
20.0 |
nM |
247.12 |
CCCCNC(P(=O)(O)O)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL291736 |
OBDepict
OH
P
O
OH
P
N
H
O
OH
HO
N
|
Ki |
= |
20.0 |
nM |
268.1 |
O=P(O)(O)C(Nc1ccccn1)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL3087934 |
OBDepict
HO
P
O
OH
P
N
H
O
OH
HO
N
N
S
F
F
F
|
IC50 |
= |
21.0 |
nM |
469.27 |
O=P(O)(O)C(Nc1ncnc2sc(-c3ccc(C(F)(F)F)cc3)cc12)P(=O)(O)O |
Homo sapiens |
CHEMBL3091236 |
single protein format |
CHEMBL53950 |
OBDepict
OH
P
O
OH
P
N
H
O
OH
HO
|
Ki |
= |
22.0 |
nM |
287.19 |
O=P(O)(O)C(NC1CCCCCC1)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL54714 |
OBDepict
Cl
N
N
H
P
P
O
OH
OH
O
HO
HO
|
Ki |
= |
23.0 |
nM |
302.55 |
O=P(O)(O)C(Nc1ccc(Cl)cn1)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL55464 |
OBDepict
OH
P
O
OH
P
OH
O
OH
HO
N
H
|
Ki |
= |
24.0 |
nM |
367.28 |
O=P(O)(O)C(O)(CCNCCCCc1ccccc1)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL2048241 |
OBDepict
CH
3
O
H
3
C
N
HN
P
P
O
OH
OH
O
HO
HO
|
IC50 |
= |
28.0 |
nM |
402.28 |
CC(C)Oc1ccc(-c2ccnc(NC(P(=O)(O)O)P(=O)(O)O)c2)cc1 |
Homo sapiens |
CHEMBL2049638 |
assay format |
CHEMBL504429 |
OBDepict
H
N
S
N
P
P
O
OH
OH
O
OH
HO
|
IC50 |
= |
28.1 |
nM |
288.16 |
O=P(O)(O)C(CSc1ncc[nH]1)P(=O)(O)O |
Homo sapiens |
CHEMBL1036745 |
assay format |
CHEMBL301244 |
OBDepict
CH
3
N
P
P
OH
O
OH
HO
O
HO
OH
|
Ki |
= |
30.0 |
nM |
353.25 |
CN(CCc1ccccc1)CCC(O)(P(=O)(O)O)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL301247 |
OBDepict
OH
P
P
O
OH
OH
O
OH
HO
N
N
H
|
Ki |
= |
30.0 |
nM |
272.09 |
O=P(O)(O)C(O)(Cc1c[nH]cn1)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL2338356 |
OBDepict
CH
3
N
+
N
P
P
OH
O
OH
HO
O
HO
_
O
|
IC50 |
= |
30.0 |
nM |
328.2 |
CCCCn1cc[n+](CC(O)(P(=O)([O-])O)P(=O)(O)O)c1 |
Homo sapiens |
CHEMBL2344604 |
cell-based format |
CHEMBL2048244 |
OBDepict
OH
P
O
OH
P
HN
O
HO
HO
N
O
|
IC50 |
= |
32.0 |
nM |
428.32 |
O=P(O)(O)C(Nc1cc(-c2ccc(OC3CCCC3)cc2)ccn1)P(=O)(O)O |
Homo sapiens |
CHEMBL2049638 |
assay format |
CHEMBL56255 |
OBDepict
CH
3
N
H
P
P
O
OH
HO
O
HO
OH
|
Ki |
= |
33.0 |
nM |
261.15 |
CCCCCNC(P(=O)(O)O)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL56011 |
OBDepict
H
3
C
CH
3
N
H
P
P
O
OH
OH
O
HO
HO
|
Ki |
= |
34.0 |
nM |
261.15 |
CCC(C)CNC(P(=O)(O)O)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL2338355 |
OBDepict
H
3
C
N
+
N
P
P
OH
O
OH
HO
O
HO
_
O
|
IC50 |
= |
34.0 |
nM |
314.17 |
CCCn1cc[n+](CC(O)(P(=O)([O-])O)P(=O)(O)O)c1 |
Homo sapiens |
CHEMBL2344604 |
cell-based format |
CHEMBL98110 |
OBDepict
OH
P
O
OH
P
O
OH
HO
N
|
IC50 |
= |
34.2 |
nM |
267.11 |
O=P(O)(O)C(Cc1cccnc1)P(=O)(O)O |
Homo sapiens |
CHEMBL902037 |
assay format |
CHEMBL98110 |
OBDepict
OH
P
O
OH
P
O
OH
HO
N
|
Ki |
= |
34.76 |
nM |
267.11 |
O=P(O)(O)C(Cc1cccnc1)P(=O)(O)O |
Homo sapiens |
CHEMBL924793 |
assay format |
CHEMBL2048242 |
OBDepict
OH
P
O
OH
P
HN
O
HO
HO
N
O
|
IC50 |
= |
35.0 |
nM |
414.29 |
O=P(O)(O)C(Nc1cc(-c2ccc(OC3CCC3)cc2)ccn1)P(=O)(O)O |
Homo sapiens |
CHEMBL2049638 |
assay format |
CHEMBL2048243 |
OBDepict
CH
3
N
HN
P
P
O
OH
OH
O
HO
HO
|
IC50 |
= |
35.0 |
nM |
358.23 |
Cc1ccc(-c2ccnc(NC(P(=O)(O)O)P(=O)(O)O)c2)cc1 |
Homo sapiens |
CHEMBL2049638 |
assay format |
CHEMBL2338360 |
OBDepict
CH
3
N
+
N
P
P
OH
O
OH
HO
O
HO
_
O
|
IC50 |
= |
36.0 |
nM |
384.31 |
CCCCCCCCn1cc[n+](CC(O)(P(=O)([O-])O)P(=O)(O)O)c1 |
Homo sapiens |
CHEMBL2344604 |
cell-based format |
CHEMBL99369 |
OBDepict
OH
P
O
OH
P
O
OH
HO
N
|
Ki |
= |
38.95 |
nM |
267.11 |
O=P(O)(O)C(Cc1ccccn1)P(=O)(O)O |
Homo sapiens |
CHEMBL924793 |
assay format |
CHEMBL3087937 |
OBDepict
HO
P
O
OH
P
N
H
O
OH
HO
N
N
S
|
IC50 |
= |
39.0 |
nM |
441.34 |
O=P(O)(O)C(Nc1ncnc2sc(-c3ccc(C4CC4)cc3)cc12)P(=O)(O)O |
Homo sapiens |
CHEMBL3091236 |
single protein format |
CHEMBL294191 |
OBDepict
OH
P
O
OH
P
O
HO
HO
N
H
N
|
Ki |
= |
40.0 |
nM |
282.13 |
O=P(O)(O)C(CNc1ccncc1)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL2338376 |
OBDepict
H
3
C
N
+
N
P
P
O
OH
OH
O
HO
_
O
|
IC50 |
= |
40.0 |
nM |
368.31 |
CCCCCCCCn1cc[n+](CC(P(=O)([O-])O)P(=O)(O)O)c1 |
Homo sapiens |
CHEMBL2344604 |
cell-based format |
CHEMBL2338359 |
OBDepict
H
3
C
N
+
N
P
P
OH
O
OH
HO
O
HO
_
O
|
IC50 |
= |
40.0 |
nM |
370.28 |
CCCCCCCn1cc[n+](CC(O)(P(=O)([O-])O)P(=O)(O)O)c1 |
Homo sapiens |
CHEMBL2344604 |
cell-based format |
CHEMBL291727 |
OBDepict
OH
P
O
OH
P
N
H
O
OH
HO
N
|
Ki |
= |
41.0 |
nM |
318.16 |
O=P(O)(O)C(Nc1nccc2ccccc12)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL316844 |
OBDepict
OH
P
O
OH
P
OH
O
OH
HO
N
H
O
|
Ki |
= |
43.0 |
nM |
369.25 |
O=P(O)(O)C(O)(CCNCCCOc1ccccc1)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL2338377 |
OBDepict
H
3
C
N
+
N
P
P
O
OH
OH
O
HO
_
O
|
IC50 |
= |
43.0 |
nM |
382.33 |
CCCCCCCCCn1cc[n+](CC(P(=O)([O-])O)P(=O)(O)O)c1 |
Homo sapiens |
CHEMBL2344604 |
cell-based format |
CHEMBL2338375 |
OBDepict
H
3
C
N
+
N
P
P
O
OH
OH
O
HO
_
O
|
IC50 |
= |
44.0 |
nM |
354.28 |
CCCCCCCn1cc[n+](CC(P(=O)([O-])O)P(=O)(O)O)c1 |
Homo sapiens |
CHEMBL2344604 |
cell-based format |
CHEMBL2338358 |
OBDepict
CH
3
N
+
N
P
P
OH
O
OH
HO
O
HO
_
O
|
IC50 |
= |
44.0 |
nM |
356.25 |
CCCCCCn1cc[n+](CC(O)(P(=O)([O-])O)P(=O)(O)O)c1 |
Homo sapiens |
CHEMBL2344604 |
cell-based format |
CHEMBL56073 |
OBDepict
H
3
C
N
P
P
HO
O
OH
OH
O
OH
HO
|
Ki |
= |
46.0 |
nM |
381.3 |
CN(CCCCc1ccccc1)CCC(O)(P(=O)(O)O)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL997 |
OBDepict
CH
3
N
CH
3
P
P
OH
O
OH
HO
O
HO
OH
|
Ki |
= |
46.0 |
nM |
319.23 |
CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL54537 |
OBDepict
H
3
C
N
P
P
HO
O
OH
OH
O
OH
HO
|
Ki |
= |
47.0 |
nM |
367.28 |
CN(CCCc1ccccc1)CCC(O)(P(=O)(O)O)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL55856 |
OBDepict
CH
3
H
3
C
N
H
P
P
O
OH
HO
O
HO
OH
|
Ki |
= |
47.0 |
nM |
261.15 |
CC(C)CCNC(P(=O)(O)O)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL2048238 |
OBDepict
OH
P
O
OH
P
N
H
O
OH
HO
N
|
IC50 |
= |
47.0 |
nM |
344.2 |
O=P(O)(O)C(Nc1cncc(-c2ccccc2)c1)P(=O)(O)O |
Homo sapiens |
CHEMBL2049638 |
assay format |
CHEMBL54472 |
OBDepict
OH
P
O
OH
P
N
O
OH
HO
|
Ki |
= |
49.0 |
nM |
273.16 |
O=P(O)(O)C(N1CCCCCC1)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL2338357 |
OBDepict
H
3
C
N
+
N
P
P
OH
O
OH
HO
O
HO
_
O
|
IC50 |
= |
49.0 |
nM |
342.23 |
CCCCCn1cc[n+](CC(O)(P(=O)([O-])O)P(=O)(O)O)c1 |
Homo sapiens |
CHEMBL2344604 |
cell-based format |
CHEMBL2338354 |
OBDepict
CH
3
N
+
N
P
P
OH
O
OH
HO
O
HO
_
O
|
IC50 |
= |
49.0 |
nM |
300.14 |
CCn1cc[n+](CC(O)(P(=O)([O-])O)P(=O)(O)O)c1 |
Homo sapiens |
CHEMBL2344604 |
cell-based format |
CHEMBL870 |
OBDepict
NH
2
P
P
OH
O
OH
HO
O
HO
OH
|
IC50 |
= |
50.0 |
nM |
249.1 |
NCCCC(O)(P(=O)(O)O)P(=O)(O)O |
Homo sapiens |
CHEMBL677586 |
single protein format |
CHEMBL58830 |
OBDepict
OH
P
O
OH
P
N
H
O
OH
HO
|
Ki |
= |
52.0 |
nM |
259.13 |
O=P(O)(O)C(NC1CCCC1)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL2338374 |
OBDepict
H
3
C
N
+
N
P
P
O
OH
OH
O
HO
_
O
|
IC50 |
= |
58.0 |
nM |
340.25 |
CCCCCCn1cc[n+](CC(P(=O)([O-])O)P(=O)(O)O)c1 |
Homo sapiens |
CHEMBL2344604 |
cell-based format |
CHEMBL2088338 |
OBDepict
CH
3
O
H
3
C
N
HN
P
P
O
OH
OH
O
HO
HO
|
IC50 |
= |
60.0 |
nM |
402.28 |
CC(C)Oc1ccc(-c2cncc(NC(P(=O)(O)O)P(=O)(O)O)c2)cc1 |
Homo sapiens |
CHEMBL2092208 |
assay format |
CHEMBL100154 |
OBDepict
H
3
C
N
N
H
P
P
O
OH
HO
O
HO
CH
3
|
IC50 |
= |
61.4 |
nM |
280.16 |
Cc1cccnc1NC(P(C)(=O)O)P(=O)(O)O |
Homo sapiens |
CHEMBL924794 |
assay format |
CHEMBL414849 |
OBDepict
NH
2
P
P
OH
O
OH
HO
O
HO
OH
|
Ki |
= |
64.6 |
nM |
297.14 |
Nc1ccccc1CC(O)(P(=O)(O)O)P(=O)(O)O |
Homo sapiens |
CHEMBL924793 |
assay format |
CHEMBL2338371 |
OBDepict
H
3
C
N
+
N
P
P
O
OH
OH
O
HO
_
O
|
IC50 |
= |
66.0 |
nM |
298.17 |
CCCn1cc[n+](CC(P(=O)([O-])O)P(=O)(O)O)c1 |
Homo sapiens |
CHEMBL2344604 |
cell-based format |
CHEMBL294478 |
OBDepict
H
3
C
CH
3
N
H
P
P
O
OH
OH
O
HO
HO
|
Ki |
= |
75.0 |
nM |
247.12 |
CC(C)CNC(P(=O)(O)O)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL2338372 |
OBDepict
H
3
C
N
+
N
P
P
O
OH
OH
O
HO
_
O
|
IC50 |
= |
79.0 |
nM |
312.2 |
CCCCn1cc[n+](CC(P(=O)([O-])O)P(=O)(O)O)c1 |
Homo sapiens |
CHEMBL2344604 |
cell-based format |
CHEMBL2338370 |
OBDepict
H
3
C
N
+
N
P
P
O
OH
OH
O
HO
_
O
|
IC50 |
= |
80.0 |
nM |
284.14 |
CCn1cc[n+](CC(P(=O)([O-])O)P(=O)(O)O)c1 |
Homo sapiens |
CHEMBL2344604 |
cell-based format |
CHEMBL2338361 |
OBDepict
H
3
C
N
+
N
P
P
HO
O
OH
OH
O
OH
_
O
|
IC50 |
= |
80.0 |
nM |
398.33 |
CCCCCCCCCn1cc[n+](CC(O)(P(=O)([O-])O)P(=O)(O)O)c1 |
Homo sapiens |
CHEMBL2344604 |
cell-based format |
CHEMBL3314098 |
OBDepict
HO
O
N
O
N
O
HO
|
IC50 |
= |
80.0 |
nM |
336.3 |
O=C(O)c1cc(Cn2c(C(=O)O)cc3ccc4ccccc4c32)on1 |
Homo sapiens |
CHEMBL3364478 |
single protein format |
CHEMBL2338353 |
OBDepict
CH
3
N
+
N
P
P
OH
O
OH
HO
O
HO
_
O
|
IC50 |
= |
80.0 |
nM |
286.12 |
Cn1cc[n+](CC(O)(P(=O)([O-])O)P(=O)(O)O)c1 |
Homo sapiens |
CHEMBL2344604 |
cell-based format |
CHEMBL924 |
OBDepict
OH
P
O
OH
P
OH
O
OH
HO
N
N
|
Ki |
= |
85.9 |
nM |
272.09 |
O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O |
Homo sapiens |
CHEMBL924793 |
assay format |
CHEMBL417549 |
OBDepict
CH
3
N
H
P
P
O
OH
HO
O
HO
OH
|
Ki |
= |
86.0 |
nM |
317.26 |
CCCCCCCCCNC(P(=O)(O)O)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL408608 |
OBDepict
H
3
C
N
N
H
P
P
O
OH
HO
O
HO
OH
|
Ki |
= |
86.3 |
nM |
286.16 |
CC1CCCN=C1NC(P(=O)(O)O)P(=O)(O)O |
Homo sapiens |
CHEMBL924793 |
assay format |
CHEMBL870 |
OBDepict
NH
2
P
P
OH
O
OH
HO
O
HO
OH
|
Ki |
= |
91.0 |
nM |
249.1 |
NCCCC(O)(P(=O)(O)O)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL394758 |
OBDepict
OH
P
O
OH
P
Cl
O
OH
HO
N
|
IC50 |
= |
94.6 |
nM |
301.56 |
O=P(O)(O)C(Cl)(Cc1cccnc1)P(=O)(O)O |
Homo sapiens |
CHEMBL902037 |
assay format |
CHEMBL55358 |
OBDepict
CH
3
H
2
N
P
P
HO
O
OH
OH
O
OH
HO
|
Ki |
= |
100.0 |
nM |
249.1 |
CC(N)CC(O)(P(=O)(O)O)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL2338378 |
OBDepict
H
3
C
N
+
N
P
P
O
OH
HO
O
HO
_
O
|
IC50 |
= |
100.0 |
nM |
396.36 |
CCCCCCCCCCn1cc[n+](CC(P(=O)([O-])O)P(=O)(O)O)c1 |
Homo sapiens |
CHEMBL2344604 |
cell-based format |
CHEMBL494897 |
OBDepict
H
3
C
O
+
N
P
P
O
OH
OH
O
HO
_
O
|
IC50 |
= |
100.0 |
nM |
423.38 |
CCCCCCCCCCOc1ccc[n+](CC(P(=O)([O-])O)P(=O)(O)O)c1 |
Homo sapiens |
CHEMBL2049642 |
single protein format |
CHEMBL54480 |
OBDepict
H
3
C
N
H
H
3
C
P
P
O
OH
OH
O
HO
HO
|
Ki |
= |
110.0 |
nM |
289.21 |
CCCCCC(C)NC(P(=O)(O)O)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL340034 |
OBDepict
H
N
+
N
P
P
OH
O
OH
OH
O
HO
OH
|
IC50 |
= |
110.0 |
nM |
273.1 |
O=P(O)(O)C(O)(C[n+]1cc[nH]c1)P(=O)(O)O |
Homo sapiens |
CHEMBL680580 |
single protein format |
CHEMBL55140 |
OBDepict
H
3
C
N
N
H
P
P
O
OH
HO
O
HO
OH
|
IC50 |
= |
110.0 |
nM |
282.13 |
Cc1cccnc1NC(P(=O)(O)O)P(=O)(O)O |
Homo sapiens |
CHEMBL681890 |
single protein format |
CHEMBL2338373 |
OBDepict
H
3
C
N
+
N
P
P
O
OH
OH
O
HO
_
O
|
IC50 |
= |
110.0 |
nM |
326.23 |
CCCCCn1cc[n+](CC(P(=O)([O-])O)P(=O)(O)O)c1 |
Homo sapiens |
CHEMBL2344604 |
cell-based format |
CHEMBL406820 |
OBDepict
OH
P
O
OH
P
O
OH
HO
N
H
|
Ki |
= |
112.2 |
nM |
273.16 |
O=P(O)(O)C(CC1CCCCN1)P(=O)(O)O |
Homo sapiens |
CHEMBL924793 |
assay format |
CHEMBL2048247 |
OBDepict
H
3
C
O
N
N
H
P
P
O
OH
OH
O
HO
HO
|
IC50 |
= |
115.0 |
nM |
374.23 |
COc1ccc(-c2ccnc(NC(P(=O)(O)O)P(=O)(O)O)c2)cc1 |
Homo sapiens |
CHEMBL2092208 |
assay format |
CHEMBL2048236 |
OBDepict
F
P
P
O
OH
OH
O
HO
OH
N
|
IC50 |
= |
115.0 |
nM |
361.2 |
O=P(O)(O)C(F)(Cc1cncc(-c2ccccc2)c1)P(=O)(O)O |
Homo sapiens |
CHEMBL2049638 |
assay format |
CHEMBL55959 |
OBDepict
H
3
C
N
N
H
P
P
O
OH
OH
O
HO
HO
|
Ki |
= |
120.0 |
nM |
282.13 |
Cc1cccc(NC(P(=O)(O)O)P(=O)(O)O)n1 |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL55886 |
OBDepict
OH
P
P
O
OH
OH
O
OH
HO
N
|
Ki |
= |
130.0 |
nM |
283.11 |
O=P(O)(O)C(O)(Cc1ccncc1)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL259729 |
OBDepict
OH
P
O
OH
P
OH
O
OH
HO
NH
|
Ki |
= |
136.7 |
nM |
289.16 |
O=P(O)(O)C(O)(CC1CCCCN1)P(=O)(O)O |
Homo sapiens |
CHEMBL924793 |
assay format |
CHEMBL100483 |
OBDepict
Br
N
N
H
P
P
O
OH
OH
O
HO
HO
|
Ki |
= |
140.0 |
nM |
347.0 |
O=P(O)(O)C(Nc1ccc(Br)cn1)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL2338368 |
OBDepict
H
N
+
N
P
P
O
OH
OH
O
HO
_
O
|
IC50 |
= |
140.0 |
nM |
256.09 |
O=P([O-])(O)C(C[n+]1cc[nH]c1)P(=O)(O)O |
Homo sapiens |
CHEMBL2344604 |
cell-based format |
CHEMBL434024 |
OBDepict
OH
P
O
OH
P
OH
O
OH
HO
N
|
IC50 |
= |
140.0 |
nM |
283.11 |
O=P(O)(O)C(O)(Cc1ccccn1)P(=O)(O)O |
Homo sapiens |
CHEMBL681890 |
single protein format |
CHEMBL2048239 |
OBDepict
OH
P
O
OH
P
HN
O
HO
HO
N
|
IC50 |
= |
150.0 |
nM |
344.2 |
O=P(O)(O)C(Nc1cc(-c2ccccc2)ccn1)P(=O)(O)O |
Homo sapiens |
CHEMBL2049638 |
assay format |
CHEMBL4459281 |
OBDepict
F
F
N
N
P
P
O
OH
OH
O
HO
HO
|
IC50 |
= |
150.0 |
nM |
342.13 |
O=P(O)(O)C(Cn1cnc2cc(F)c(F)cc21)P(=O)(O)O |
Homo sapiens |
CHEMBL4315903 |
single protein format |
CHEMBL98719 |
OBDepict
CH
3
NH
N
P
P
O
OH
HO
O
HO
OH
|
Ki |
= |
155.4 |
nM |
296.16 |
Cc1cccnc1NCC(P(=O)(O)O)P(=O)(O)O |
Homo sapiens |
CHEMBL924793 |
assay format |
CHEMBL299717 |
OBDepict
CH
3
N
H
P
P
O
OH
HO
O
HO
OH
|
Ki |
= |
160.0 |
nM |
233.1 |
CCCNC(P(=O)(O)O)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |
CHEMBL56253 |
OBDepict
OH
P
O
OH
P
N
H
O
OH
HO
|
IC50 |
= |
160.0 |
nM |
273.16 |
O=P(O)(O)C(NC1CCCCC1)P(=O)(O)O |
Homo sapiens |
CHEMBL681890 |
single protein format |
CHEMBL301065 |
OBDepict
OH
P
O
OH
P
N
H
O
OH
HO
N
|
IC50 |
= |
160.0 |
nM |
268.1 |
O=P(O)(O)C(Nc1cccnc1)P(=O)(O)O |
Homo sapiens |
CHEMBL681890 |
single protein format |
CHEMBL2048237 |
OBDepict
OH
P
O
OH
P
O
OH
HO
N
|
IC50 |
= |
164.0 |
nM |
343.21 |
O=P(O)(O)C(Cc1cncc(-c2ccccc2)c1)P(=O)(O)O |
Homo sapiens |
CHEMBL2049638 |
assay format |
CHEMBL56254 |
OBDepict
H
3
C
N
H
P
P
O
OH
OH
O
HO
HO
|
Ki |
= |
170.0 |
nM |
275.18 |
CCCCCCNC(P(=O)(O)O)P(=O)(O)O |
Homo sapiens |
CHEMBL681891 |
single protein format |