molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL474122 |
|
Ki |
= |
0.0021 |
nM |
253.26 |
Nc1nc2c(CNC(CO)CO)c[nH]c2c(=O)[nH]1 |
Homo sapiens |
CHEMBL951777 |
single protein format |
CHEMBL516050 |
OBDepict
OH
N
H
H
HO
H
OH
N
N
H
NH
2
N
O
H
|
Ki |
= |
0.0034 |
nM |
283.29 |
Nc1nc2c(CN[C@H](CO)[C@H](O)CO)c[nH]c2c(=O)[nH]1 |
Homo sapiens |
CHEMBL951777 |
single protein format |
CHEMBL505564 |
OBDepict
HO
N
H
HO
N
N
H
N
O
H
|
Ki |
= |
0.0052 |
nM |
238.25 |
O=c1[nH]cnc2c(CNC(CO)CO)c[nH]c12 |
Homo sapiens |
CHEMBL951777 |
single protein format |
CHEMBL475750 |
OBDepict
HO
H
N
H
OH
N
N
H
NH
2
N
O
H
|
Ki |
= |
0.007 |
nM |
279.3 |
Nc1nc2c(CN3C[C@H](O)[C@@H](CO)C3)c[nH]c2c(=O)[nH]1 |
Homo sapiens |
CHEMBL951777 |
single protein format |
CHEMBL4578463 |
OBDepict
HO
H
HO
H
N
H
HO
N
N
H
N
O
H
|
Ki |
= |
0.0086 |
nM |
282.3 |
O=c1[nH]cnc2c(CNC[C@H](CO)[C@H](O)CO)c[nH]c12 |
Homo sapiens |
CHEMBL4369205 |
single protein format |
CHEMBL475537 |
OBDepict
OH
N
H
H
HO
H
OH
N
N
H
N
O
H
|
Ki |
= |
0.0086 |
nM |
268.27 |
O=c1[nH]cnc2c(CN[C@H](CO)[C@H](O)CO)c[nH]c12 |
Homo sapiens |
CHEMBL951777 |
single protein format |
CHEMBL473922 |
OBDepict
OH
H
HN
H
OH
H
H
OH
N
N
H
NH
2
N
O
H
|
Ki |
= |
0.029 |
nM |
281.27 |
Nc1nc2c([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)c[nH]c2c(=O)[nH]1 |
Homo sapiens |
CHEMBL764180 |
single protein format |
CHEMBL349855 |
OBDepict
NH
2
N
N
OH
N
S
|
IC50 |
= |
0.03 |
nM |
246.29 |
Nc1nc(O)c2c(n1)CC(Cc1cccs1)=N2 |
Homo sapiens |
CHEMBL760477 |
tissue-based format |
CHEMBL349024 |
OBDepict
NH
2
N
N
OH
N
O
|
IC50 |
= |
0.057 |
nM |
230.23 |
Nc1nc(O)c2c(n1)CC(Cc1ccco1)=N2 |
Homo sapiens |
CHEMBL760477 |
tissue-based format |
CHEMBL159271 |
OBDepict
NH
2
N
N
OH
N
S
|
IC50 |
= |
0.067 |
nM |
246.29 |
Nc1nc(O)c2c(n1)CC(Cc1ccsc1)=N2 |
Homo sapiens |
CHEMBL760477 |
tissue-based format |
CHEMBL218291 |
OBDepict
HO
H
NH
H
HO
H
H
HO
N
N
H
N
O
H
|
Ki |
= |
0.072 |
nM |
266.26 |
O=c1[nH]cnc2c([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)c[nH]c12 |
Homo sapiens |
CHEMBL764180 |
single protein format |
CHEMBL422712 |
OBDepict
NH
2
N
N
N
HO
N
N
H
H
S
|
IC50 |
= |
0.085 |
nM |
262.3 |
Nc1nc(O)c2[nH]c(NCc3ccsc3)nc2n1 |
Homo sapiens |
CHEMBL760477 |
tissue-based format |
CHEMBL159747 |
OBDepict
NH
2
N
N
OH
N
|
IC50 |
= |
0.085 |
nM |
240.27 |
Nc1nc(O)c2c(n1)CC(Cc1ccccc1)=N2 |
Homo sapiens |
CHEMBL760477 |
tissue-based format |
CHEMBL41949 |
OBDepict
HO
H
N
H
H
HO
H
OH
N
N
H
2
N
H
O
NH
2
|
Ki |
= |
0.096 |
nM |
257.25 |
NC(=O)c1[nH]nc(C2N[C@H](CO)[C@H](O)[C@@H]2O)c1N |
Homo sapiens |
CHEMBL764180 |
single protein format |
CHEMBL514795 |
OBDepict
CH
3
S
H
N
H
HO
N
N
H
N
O
H
|
Ki |
= |
0.1 |
nM |
294.38 |
CSC[C@H]1CN(Cc2c[nH]c3c(=O)[nH]cnc23)C[C@@H]1O |
Homo sapiens |
CHEMBL963040 |
single protein format |
CHEMBL2311112 |
OBDepict
OH
H
N
H
H
OH
H
H
HO
N
N
N
H
N
HO
|
Ki |
= |
0.104 |
nM |
267.25 |
OC[C@H]1N[C@@H](c2n[nH]c3c(O)ncnc23)[C@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL764180 |
single protein format |
CHEMBL443968 |
OBDepict
CH
3
S
H
N
H
HO
N
N
H
N
O
H
|
Ki |
= |
0.117 |
nM |
322.43 |
CCCSC[C@H]1CN(Cc2c[nH]c3c(=O)[nH]cnc23)C[C@@H]1O |
Homo sapiens |
CHEMBL963040 |
single protein format |
CHEMBL351228 |
OBDepict
NH
2
N
N
N
HO
N
N
H
H
S
|
IC50 |
= |
0.16 |
nM |
262.3 |
Nc1nc(O)c2[nH]c(NCc3cccs3)nc2n1 |
Homo sapiens |
CHEMBL760477 |
tissue-based format |
CHEMBL435085 |
OBDepict
HO
H
N
OH
N
N
H
NH
2
N
OH
|
Ki |
= |
0.163 |
nM |
279.3 |
Nc1nc(O)c2[nH]cc(CN3CC(O)[C@@H](CO)C3)c2n1 |
Homo sapiens |
CHEMBL764177 |
tissue-based format |
CHEMBL522757 |
OBDepict
HO
N
H
H
N
N
HO
HO
H
N
O
H
|
Ki |
= |
0.21 |
nM |
268.27 |
O=c1[nH]cnc2c([C@@H](CO)NC(CO)CO)c[nH]c12 |
Homo sapiens |
CHEMBL951777 |
single protein format |
CHEMBL114781 |
OBDepict
HO
H
NH
H
HO
H
N
N
H
NH
2
N
OH
|
Ki |
= |
0.22 |
nM |
265.27 |
Nc1nc(O)c2[nH]cc([C@H]3C[C@@H](O)[C@@H](CO)N3)c2n1 |
Homo sapiens |
CHEMBL766712 |
single protein format |
CHEMBL407776 |
OBDepict
OH
HO
N
N
N
H
N
O
H
|
Ki |
= |
0.229 |
nM |
264.28 |
O=c1[nH]cnc2c(CN3CC(CO)(CO)C3)c[nH]c12 |
Homo sapiens |
CHEMBL931720 |
single protein format |
CHEMBL115146 |
OBDepict
OH
H
N
H
H
OH
H
N
N
H
N
HO
|
Ki |
= |
0.25 |
nM |
250.26 |
OC[C@H]1N[C@@H](c2c[nH]c3c(O)ncnc23)C[C@H]1O |
Homo sapiens |
CHEMBL766712 |
single protein format |
CHEMBL351219 |
OBDepict
NH
2
N
N
N
HO
N
N
H
H
O
|
IC50 |
= |
0.25 |
nM |
246.23 |
Nc1nc(O)c2[nH]c(NCc3ccco3)nc2n1 |
Homo sapiens |
CHEMBL760477 |
tissue-based format |
CHEMBL269866 |
OBDepict
H
N
N
O
N
N
H
HO
|
Ki |
= |
0.26 |
nM |
234.26 |
O=c1[nH]cnc2c(CN3CCC3CO)c[nH]c12 |
Homo sapiens |
CHEMBL931720 |
single protein format |
CHEMBL454743 |
OBDepict
HO
H
N
H
OH
N
N
H
N
O
H
|
Ki |
= |
0.38 |
nM |
264.29 |
O=c1[nH]cnc2c(CN3C[C@@H](O)[C@H](CO)C3)c[nH]c12 |
Homo sapiens |
CHEMBL982800 |
single protein format |
CHEMBL489690 |
OBDepict
OH
N
H
HO
HO
N
N
H
NH
2
N
O
H
|
Ki |
= |
0.4 |
nM |
283.29 |
Nc1nc2c(CNC(CO)(CO)CO)c[nH]c2c(=O)[nH]1 |
Homo sapiens |
CHEMBL951777 |
single protein format |
CHEMBL508602 |
OBDepict
HO
N
H
3
C
HO
N
N
H
N
O
H
|
Ki |
= |
0.43 |
nM |
252.27 |
CN(Cc1c[nH]c2c(=O)[nH]cnc12)C(CO)CO |
Homo sapiens |
CHEMBL951777 |
single protein format |
CHEMBL508929 |
OBDepict
HO
N
HO
HO
N
N
H
N
O
H
|
Ki |
= |
0.469 |
nM |
282.3 |
O=c1[nH]cnc2c(CN(CCO)C(CO)CO)c[nH]c12 |
Homo sapiens |
CHEMBL951777 |
single protein format |
CHEMBL350429 |
OBDepict
H
2
N
N
N
N
HO
N
N
H
H
|
IC50 |
= |
0.47 |
nM |
256.27 |
Nc1nc(O)c2[nH]c(NCc3ccccc3)nc2n1 |
Homo sapiens |
CHEMBL760477 |
tissue-based format |
CHEMBL498940 |
OBDepict
HO
F
N
H
OH
N
N
H
N
O
H
|
Ki |
= |
0.5 |
nM |
282.27 |
O=c1[nH]cnc2c(CN3C[C@H](O)[C@@](F)(CO)C3)c[nH]c12 |
Homo sapiens |
CHEMBL982800 |
single protein format |
CHEMBL523107 |
OBDepict
OH
N
H
HO
HO
N
N
H
N
O
H
|
Ki |
= |
0.62 |
nM |
268.27 |
O=c1[nH]cnc2c(CNC(CO)(CO)CO)c[nH]c12 |
Homo sapiens |
CHEMBL951777 |
single protein format |
CHEMBL159316 |
OBDepict
NH
2
N
N
OH
N
N
H
S
|
IC50 |
= |
0.63 |
nM |
261.31 |
Nc1nc(O)c2c(n1)CC(NCc1ccsc1)=N2 |
Homo sapiens |
CHEMBL760477 |
tissue-based format |
CHEMBL159515 |
OBDepict
NH
2
N
N
OH
N
N
H
O
|
IC50 |
= |
0.75 |
nM |
245.24 |
Nc1nc(O)c2c(n1)CC(NCc1ccco1)=N2 |
Homo sapiens |
CHEMBL760477 |
tissue-based format |
CHEMBL489691 |
OBDepict
HO
N
H
HO
HO
N
N
H
N
O
H
|
Ki |
= |
0.78 |
nM |
268.27 |
O=c1[nH]cnc2c(CNC(CO)C(O)CO)c[nH]c12 |
Homo sapiens |
CHEMBL951777 |
single protein format |
CHEMBL489887 |
OBDepict
H
N
N
O
N
N
H
H
OH
|
Ki |
= |
0.78 |
nM |
222.25 |
O=c1[nH]cnc2c(CNCCCO)c[nH]c12 |
Homo sapiens |
CHEMBL951777 |
single protein format |
CHEMBL345473 |
OBDepict
NH
2
N
N
OH
N
N
H
|
IC50 |
= |
0.85 |
nM |
255.28 |
Nc1nc(O)c2c(n1)CC(NCc1ccccc1)=N2 |
Homo sapiens |
CHEMBL760477 |
tissue-based format |
CHEMBL159514 |
OBDepict
NH
2
N
N
OH
N
N
H
S
|
IC50 |
= |
1.0 |
nM |
261.31 |
Nc1nc(O)c2c(n1)CC(NCc1cccs1)=N2 |
Homo sapiens |
CHEMBL760477 |
tissue-based format |
CHEMBL522099 |
OBDepict
OH
N
H
H
HO
H
OH
N
N
H
N
O
H
|
Ki |
= |
1.0 |
nM |
268.27 |
O=c1[nH]cnc2c(CN[C@@H](CO)[C@@H](O)CO)c[nH]c12 |
Homo sapiens |
CHEMBL951777 |
single protein format |
CHEMBL385263 |
OBDepict
HO
H
N
H
OH
N
N
H
NH
2
N
OH
|
Ki |
= |
1.0 |
nM |
279.3 |
Nc1nc(O)c2[nH]cc(CN3C[C@H](O)C[C@H]3CO)c2n1 |
Homo sapiens |
CHEMBL908314 |
single protein format |
CHEMBL269864 |
OBDepict
HO
H
N
H
OH
N
N
H
N
O
H
|
Ki |
= |
1.1 |
nM |
264.29 |
O=c1[nH]cnc2c(CN3C[C@H](O)[C@@H](CO)C3)c[nH]c12 |
Homo sapiens |
CHEMBL764177 |
tissue-based format |
CHEMBL490284 |
OBDepict
H
N
N
O
N
N
H
H
OH
|
Ki |
= |
1.1 |
nM |
208.22 |
O=c1[nH]cnc2c(CNCCO)c[nH]c12 |
Homo sapiens |
CHEMBL951777 |
single protein format |
CHEMBL117417 |
OBDepict
H
2
N
N
N
HO
N
N
S
P
O
OH
OH
|
Ki |
= |
1.1 |
nM |
381.35 |
Nc1nc(O)c2ncn(Cc3cccc(CSCP(=O)(O)O)c3)c2n1 |
Homo sapiens |
CHEMBL760483 |
assay format |
CHEMBL1161035 |
OBDepict
H
2
N
N
N
OH
N
N
F
P
F
F
O
OH
OH
|
Ki |
= |
1.3 |
nM |
403.26 |
Nc1nc(O)c2ncn(Cc3ccccc3C(F)C(F)(F)P(=O)(O)O)c2n1 |
Homo sapiens |
CHEMBL766711 |
single protein format |
CHEMBL522277 |
OBDepict
HO
N
HO
N
N
H
N
O
H
|
Ki |
= |
1.3 |
nM |
252.27 |
O=c1[nH]cnc2c(CN(CCO)CCO)c[nH]c12 |
Homo sapiens |
CHEMBL951777 |
single protein format |
CHEMBL541578 |
OBDepict
OH
H
N
H
H
OH
H
F
F
N
N
H
N
HO
ClH
|
Ki |
= |
1.4 |
nM |
322.7 |
Cl.OC[C@H]1N[C@@H](c2c[nH]c3c(O)ncnc23)C(F)(F)[C@H]1O |
Homo sapiens |
CHEMBL766712 |
single protein format |
CHEMBL1161032 |
OBDepict
NH
2
N
N
OH
N
N
P
F
O
OH
HO
|
Ki |
= |
1.8 |
nM |
365.26 |
Nc1nc(O)c2ncn(Cc3ccccc3/C=C(F)P(=O)(O)O)c2n1 |
Homo sapiens |
CHEMBL766711 |
single protein format |
CHEMBL385263 |
OBDepict
HO
H
N
H
OH
N
N
H
NH
2
N
OH
|
IC50 |
= |
2.0 |
nM |
279.3 |
Nc1nc(O)c2[nH]cc(CN3C[C@H](O)C[C@H]3CO)c2n1 |
Homo sapiens |
CHEMBL908314 |
single protein format |
CHEMBL1161895 |
OBDepict
CH
3
O
HO
HO
H
N
N
N
H
NH
2
N
OH
|
Ki |
= |
2.0 |
nM |
323.35 |
CC(=O)O.Nc1nc(O)c2[nH]cc(CN3CCC[C@H]3CO)c2n1 |
Homo sapiens |
CHEMBL908314 |
single protein format |
CHEMBL357062 |
OBDepict
HO
H
N
HO
N
N
N
H
N
OH
|
Ki |
= |
2.0 |
nM |
265.27 |
OC[C@H]1CN(Cc2n[nH]c3c(O)ncnc23)CC1O |
Homo sapiens |
CHEMBL764177 |
tissue-based format |
CHEMBL1161900 |
OBDepict
CH
3
O
HO
HO
N
HO
N
N
H
NH
2
N
OH
|
Ki |
= |
2.5 |
nM |
327.34 |
CC(=O)O.Nc1nc(O)c2[nH]cc(CN(CCO)CCO)c2n1 |
Homo sapiens |
CHEMBL908314 |
single protein format |
CHEMBL543401 |
OBDepict
HO
H
N
H
OH
OH
N
N
H
N
OH
ClH
|
Ki |
= |
2.84 |
nM |
316.75 |
Cl.OC[C@@H]1[C@H](O)C(O)CN1Cc1c[nH]c2c(O)ncnc12 |
Homo sapiens |
CHEMBL766712 |
single protein format |
CHEMBL269745 |
OBDepict
NH
2
N
N
OH
N
N
P
O
OH
P
O
HO
HO
|
Ki |
= |
3.1 |
nM |
379.25 |
Nc1nc(O)c2ncn(CCCCCP(=O)(O)CP(=O)(O)O)c2n1 |
Homo sapiens |
CHEMBL766709 |
single protein format |
CHEMBL1161033 |
OBDepict
H
2
N
N
N
HO
N
N
P
O
OH
OH
|
Ki |
= |
3.2 |
nM |
347.27 |
Nc1nc(O)c2ncn(Cc3ccccc3/C=C/P(=O)(O)O)c2n1 |
Homo sapiens |
CHEMBL766711 |
single protein format |
CHEMBL218291 |
OBDepict
HO
H
NH
H
HO
H
H
HO
N
N
H
N
O
H
|
IC50 |
= |
3.5 |
nM |
266.26 |
O=c1[nH]cnc2c([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)c[nH]c12 |
Homo sapiens |
CHEMBL908314 |
single protein format |
CHEMBL565167 |
OBDepict
HO
H
NH
H
HO
H
H
HO
N
N
H
N
O
H
|
Ki |
= |
3.5 |
nM |
266.26 |
O=c1[nH]cnc2c([C@@H]3N[C@H](CO)[C@@H](O)[C@@H]3O)c[nH]c12 |
Homo sapiens |
CHEMBL766712 |
single protein format |
CHEMBL490282 |
OBDepict
OH
N
HO
CH
3
N
N
H
N
O
H
|
Ki |
= |
3.7 |
nM |
266.3 |
CN(Cc1c[nH]c2c(=O)[nH]cnc12)CC(CO)CO |
Homo sapiens |
CHEMBL951777 |
single protein format |
CHEMBL7319 |
OBDepict
H
2
N
N
N
OH
N
N
P
O
OH
P
O
HO
HO
|
Ki |
= |
3.7 |
nM |
393.28 |
Nc1nc(O)c2ncn(CCCCCCP(=O)(O)CP(=O)(O)O)c2n1 |
Homo sapiens |
CHEMBL766709 |
single protein format |
CHEMBL1161895 |
OBDepict
CH
3
O
HO
HO
H
N
N
N
H
NH
2
N
OH
|
IC50 |
= |
4.0 |
nM |
323.35 |
CC(=O)O.Nc1nc(O)c2[nH]cc(CN3CCC[C@H]3CO)c2n1 |
Homo sapiens |
CHEMBL908314 |
single protein format |
CHEMBL350773 |
OBDepict
H
3
C
S
N
H
N
N
N
H
HO
N
NH
2
|
IC50 |
= |
4.05 |
nM |
276.33 |
Cc1ccsc1CNc1nc2[nH]c(N)nc(O)c-2n1 |
Homo sapiens |
CHEMBL760477 |
tissue-based format |
CHEMBL348923 |
OBDepict
NH
2
N
N
HO
N
N
H
S
H
3
C
|
IC50 |
= |
4.05 |
nM |
275.34 |
Cc1ccsc1CNC1=Nc2c(O)nc(N)nc2C1 |
Homo sapiens |
CHEMBL760477 |
tissue-based format |
CHEMBL490283 |
OBDepict
HO
HO
H
N
H
N
N
H
N
O
H
|
Ki |
= |
4.2 |
nM |
238.25 |
O=c1[nH]cnc2c(CNC[C@H](O)CO)c[nH]c12 |
Homo sapiens |
CHEMBL951777 |
single protein format |
CHEMBL522278 |
OBDepict
OH
N
H
H
HO
H
OH
N
N
H
N
O
H
|
Ki |
= |
4.3 |
nM |
268.27 |
O=c1[nH]cnc2c(CN[C@H](CO)[C@@H](O)CO)c[nH]c12 |
Homo sapiens |
CHEMBL951777 |
single protein format |
CHEMBL462398 |
OBDepict
H
3
C
S
NH
HO
N
N
H
N
O
H
|
Ki |
= |
4.3 |
nM |
268.34 |
CSCC(CO)NCc1c[nH]c2c(=O)[nH]cnc12 |
Homo sapiens |
CHEMBL963040 |
single protein format |
CHEMBL544117 |
OBDepict
CH
3
O
N
H
N
N
H
N
H
OH
H
H
HO
HO
ClH
ClH
|
Ki |
= |
4.7 |
nM |
353.21 |
COc1[nH]cnc2c([C@@H]3N[C@H](CO)[C@H](O)C3O)cnc1-2.Cl.Cl |
Homo sapiens |
CHEMBL766712 |
single protein format |
CHEMBL543164 |
OBDepict
HO
H
N
H
H
HO
H
OH
N
N
CH
3
N
OH
ClH
|
Ki |
= |
4.7 |
nM |
316.75 |
Cl.Cn1cc([C@@H]2N[C@H](CO)[C@H](O)C2O)c2ncnc(O)c21 |
Homo sapiens |
CHEMBL766712 |
single protein format |
CHEMBL1161900 |
OBDepict
CH
3
O
HO
HO
N
HO
N
N
H
NH
2
N
OH
|
IC50 |
= |
5.0 |
nM |
327.34 |
CC(=O)O.Nc1nc(O)c2[nH]cc(CN(CCO)CCO)c2n1 |
Homo sapiens |
CHEMBL908314 |
single protein format |
CHEMBL490285 |
OBDepict
OH
N
H
H
HO
H
OH
N
N
H
N
O
H
|
Ki |
= |
5.2 |
nM |
268.27 |
O=c1[nH]cnc2c(CN[C@@H](CO)[C@H](O)CO)c[nH]c12 |
Homo sapiens |
CHEMBL951777 |
single protein format |
CHEMBL542455 |
OBDepict
OH
H
N
H
H
OH
H
OH
F
N
N
H
N
HO
ClH
|
Ki |
= |
5.6 |
nM |
320.71 |
Cl.OC[C@H]1N[C@@H](c2c(F)[nH]c3c(O)ncnc23)C(O)[C@H]1O |
Homo sapiens |
CHEMBL766712 |
single protein format |
CHEMBL326595 |
OBDepict
H
2
N
N
N
HO
N
N
O
P
O
OH
OH
|
Ki |
= |
5.8 |
nM |
365.29 |
Nc1nc(O)c2ncn(Cc3cccc(COCP(=O)(O)O)c3)c2n1 |
Homo sapiens |
CHEMBL760483 |
assay format |
CHEMBL461527 |
OBDepict
CH
3
S
F
N
H
HO
N
N
H
N
O
H
|
Ki |
= |
5.8 |
nM |
312.37 |
CSC[C@@]1(F)CN(Cc2c[nH]c3c(=O)[nH]cnc23)C[C@@H]1O |
Homo sapiens |
CHEMBL963040 |
single protein format |
CHEMBL309907 |
OBDepict
HO
O
H
N
N
H
Cl
NH
2
N
OH
|
IC50 |
= |
5.9 |
nM |
332.75 |
Nc1nc(O)c2[nH]cc([C@@H](CC(=O)O)c3cccc(Cl)c3)c2n1 |
Homo sapiens |
CHEMBL766676 |
tissue-based format |
CHEMBL325862 |
OBDepict
CH
3
O
H
N
H
H
HO
H
N
N
OH
H
N
OH
|
Ki |
= |
5.9 |
nM |
280.28 |
COC1[C@H](c2c[nH]c3c(O)ncnc23)N[C@H](CO)[C@@H]1O |
Homo sapiens |
CHEMBL766712 |
single protein format |
CHEMBL270904 |
OBDepict
OH
N
N
N
H
N
O
H
|
Ki |
= |
6.3 |
nM |
234.26 |
O=c1[nH]cnc2c(CN3CC(CO)C3)c[nH]c12 |
Homo sapiens |
CHEMBL931720 |
single protein format |
CHEMBL522616 |
OBDepict
HO
N
H
OH
H
H
3
C
HO
N
N
H
N
O
H
|
Ki |
= |
7.5 |
nM |
282.3 |
CN(Cc1c[nH]c2c(=O)[nH]cnc12)[C@H](CO)[C@H](O)CO |
Homo sapiens |
CHEMBL951777 |
single protein format |
CHEMBL512051 |
OBDepict
CH
3
S
OH
N
H
HO
N
N
H
N
O
H
|
Ki |
= |
7.9 |
nM |
310.38 |
CSC[C@@]1(O)CN(Cc2c[nH]c3c(=O)[nH]cnc23)C[C@@H]1O |
Homo sapiens |
CHEMBL963040 |
single protein format |
CHEMBL327010 |
OBDepict
H
2
N
N
N
HO
N
N
O
P
O
OH
OH
|
Ki |
= |
8.3 |
nM |
351.26 |
Nc1nc(O)c2ncn(Cc3ccccc3OCP(=O)(O)O)c2n1 |
Homo sapiens |
CHEMBL760483 |
assay format |
CHEMBL317966 |
OBDepict
OH
N
N
N
N
H
H
P
F
F
O
OH
OH
|
Ki |
= |
8.8 |
nM |
334.22 |
O=P(O)(O)C(F)(F)[C@@H]1C[C@H]1CCn1cnc2c(O)ncnc21 |
Homo sapiens |
CHEMBL766706 |
single protein format |
CHEMBL600664 |
OBDepict
CH
3
O
P
O
O
F
F
N
N
H
NH
2
N
O
H
CH
3
|
IC50 |
= |
9.5 |
nM |
406.37 |
CCOP(=O)(OCC)C(F)(F)CCCCCc1c[nH]c2c(=O)[nH]c(N)nc12 |
Homo sapiens |
CHEMBL1069543 |
single protein format |
CHEMBL236711 |
OBDepict
NH
2
N
N
H
O
N
H
P
F
F
O
OH
HO
|
IC50 |
= |
9.5 |
nM |
350.26 |
Nc1nc2c(CCCCCC(F)(F)P(=O)(O)O)c[nH]c2c(=O)[nH]1 |
Homo sapiens |
CHEMBL896616 |
single protein format |
CHEMBL538773 |
OBDepict
OH
H
N
H
HO
H
N
N
H
N
HO
ClH
|
Ki |
= |
9.5 |
nM |
286.72 |
Cl.OC[C@@H]1CC(O)[C@H](c2c[nH]c3c(O)ncnc23)N1 |
Homo sapiens |
CHEMBL766712 |
single protein format |
CHEMBL2024005 |
OBDepict
NH
2
N
N
H
N
O
N
H
N
H
OH
P
O
O
OH
HO
|
IC50 |
= |
10.0 |
nM |
344.22 |
Nc1nc2c(ncn2[C@@H]2CN(C(=O)P(=O)(O)O)C[C@@H]2O)c(=O)[nH]1 |
Homo sapiens |
CHEMBL2026251 |
single protein format |
CHEMBL2024005 |
OBDepict
NH
2
N
N
H
N
O
N
H
N
H
OH
P
O
O
OH
HO
|
Ki |
= |
10.0 |
nM |
344.22 |
Nc1nc2c(ncn2[C@@H]2CN(C(=O)P(=O)(O)O)C[C@@H]2O)c(=O)[nH]1 |
Homo sapiens |
CHEMBL2025868 |
single protein format |
CHEMBL7247 |
OBDepict
NH
2
N
N
OH
N
N
P
O
OH
P
O
HO
HO
|
Ki |
= |
10.0 |
nM |
407.3 |
Nc1nc(O)c2ncn(CCCCCCCP(=O)(O)CP(=O)(O)O)c2n1 |
Homo sapiens |
CHEMBL766709 |
single protein format |
CHEMBL7193 |
OBDepict
NH
2
N
N
OH
N
N
O
O
P
O
O
OH
P
O
OH
HO
|
Ki |
= |
10.0 |
nM |
385.17 |
Nc1nc(O)c2ncn(COCCOP(=O)(O)OP(=O)(O)O)c2n1 |
Homo sapiens |
CHEMBL873424 |
assay format |
CHEMBL114003 |
OBDepict
OH
H
N
H
H
OH
H
OH
CH
3
N
N
N
HO
H
|
Ki |
= |
10.1 |
nM |
280.28 |
Cc1nc2c(O)[nH]cnc-2c1[C@@H]1N[C@H](CO)[C@H](O)C1O |
Homo sapiens |
CHEMBL766712 |
single protein format |
CHEMBL1161901 |
OBDepict
CH
3
O
HO
HO
NH
N
N
H
NH
2
N
OH
|
Ki |
= |
10.2 |
nM |
283.29 |
CC(=O)O.Nc1nc(O)c2[nH]cc(CNCCO)c2n1 |
Homo sapiens |
CHEMBL908314 |
single protein format |
CHEMBL81839 |
OBDepict
N
N
N
H
Cl
NH
2
N
HO
|
IC50 |
= |
11.0 |
nM |
313.75 |
N#CCC(c1cccc(Cl)c1)c1c[nH]c2c(O)nc(N)nc12 |
Homo sapiens |
CHEMBL766676 |
tissue-based format |
CHEMBL159525 |
OBDepict
NH
2
N
N
N
OH
N
H
S
|
IC50 |
= |
11.0 |
nM |
247.28 |
Nc1nc(O)c2[nH]c(Cc3ccsc3)nc2n1 |
Homo sapiens |
CHEMBL760477 |
tissue-based format |
CHEMBL159889 |
OBDepict
NH
2
N
N
N
OH
N
H
S
|
IC50 |
= |
11.0 |
nM |
247.28 |
Nc1nc(O)c2[nH]c(Cc3cccs3)nc2n1 |
Homo sapiens |
CHEMBL760477 |
tissue-based format |
CHEMBL474121 |
OBDepict
HO
H
NH
H
HO
H
H
HO
N
N
H
N
O
H
|
Ki |
= |
12.0 |
nM |
266.26 |
O=c1[nH]cnc2c([C@H]3N[C@@H](CO)[C@H](O)[C@@H]3O)c[nH]c12 |
Homo sapiens |
CHEMBL951777 |
single protein format |
CHEMBL405926 |
OBDepict
HO
N
HO
N
N
H
N
O
H
|
Ki |
= |
12.9 |
nM |
264.29 |
O=c1[nH]cnc2c(CN3C(CO)CC3CO)c[nH]c12 |
Homo sapiens |
CHEMBL931720 |
single protein format |
CHEMBL79460 |
OBDepict
HO
O
N
N
H
NH
2
N
OH
|
IC50 |
= |
13.0 |
nM |
298.3 |
Nc1nc(O)c2[nH]cc(C(CC(=O)O)c3ccccc3)c2n1 |
Homo sapiens |
CHEMBL766676 |
tissue-based format |
CHEMBL1161034 |
OBDepict
NH
2
N
N
OH
N
N
P
F
F
O
OH
HO
|
Ki |
= |
13.0 |
nM |
385.27 |
Nc1nc(O)c2ncn(Cc3ccccc3CC(F)(F)P(=O)(O)O)c2n1 |
Homo sapiens |
CHEMBL766711 |
single protein format |
CHEMBL117127 |
OBDepict
H
2
N
N
N
HO
N
N
P
O
OH
OH
|
Ki |
= |
13.0 |
nM |
363.31 |
Nc1nc(O)c2ncn(Cc3cccc(CCCP(=O)(O)O)c3)c2n1 |
Homo sapiens |
CHEMBL760483 |
assay format |
CHEMBL311300 |
OBDepict
NH
2
N
N
H
O
N
H
N
|
Ki |
= |
13.5 |
nM |
241.25 |
Nc1nc2c(Cc3cccnc3)c[nH]c2c(=O)[nH]1 |
Homo sapiens |
CHEMBL4369203 |
single protein format |
CHEMBL490081 |
OBDepict
HO
N
H
HO
N
N
H
N
O
H
|
Ki |
= |
14.1 |
nM |
252.27 |
O=c1[nH]cnc2c(CNCC(CO)CO)c[nH]c12 |
Homo sapiens |
CHEMBL951777 |
single protein format |
CHEMBL524489 |
OBDepict
HO
HO
H
N
H
N
N
H
N
O
H
|
Ki |
= |
14.9 |
nM |
238.25 |
O=c1[nH]cnc2c(CNC[C@@H](O)CO)c[nH]c12 |
Homo sapiens |
CHEMBL951777 |
single protein format |
CHEMBL94840 |
OBDepict
HO
N
N
N
N
H
O
H
P
F
F
O
OH
OH
|
Ki |
= |
15.2 |
nM |
364.25 |
O=P(O)(O)C(F)(F)C[C@H]1COC[C@H]1Cn1cnc2c(O)ncnc21 |
Homo sapiens |
CHEMBL766706 |
single protein format |
CHEMBL159555 |
OBDepict
NH
2
N
N
N
OH
N
H
O
|
IC50 |
= |
17.9 |
nM |
231.22 |
Nc1nc(O)c2[nH]c(Cc3ccco3)nc2n1 |
Homo sapiens |
CHEMBL760477 |
tissue-based format |