molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL432221 |
|
Ki |
= |
2.3 |
nM |
275.42 |
C[Si](C)(C)/C=C/CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |
Homo sapiens |
CHEMBL683914 |
single protein format |
CHEMBL120226 |
OBDepict
OH
H
N
H
OH
H
OH
H
HO
Si
H
3
C
CH
3
|
Ki |
= |
4.0 |
nM |
337.49 |
C[Si](C)(/C=C/CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1ccccc1 |
Homo sapiens |
CHEMBL683914 |
single protein format |
CHEMBL2051983 |
OBDepict
CH
3
O
H
O
H
HO
H
CH
3
H
HO
H
N
H
H
H
OH
HO
H
HO
HO
H
HO
|
IC50 |
= |
4.9 |
nM |
353.37 |
CO[C@H]1O[C@H](C)[C@@H](N[C@H]2C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |
Homo sapiens |
CHEMBL710105 |
single protein format |
CHEMBL2374254 |
OBDepict
OH
HO
H
OH
H
N
H
H
OH
H
HO
OH
H
|
IC50 |
= |
5.8 |
nM |
313.35 |
OC[C@@]1(O)C[C@H](NC[C@H](O)c2ccccc2)[C@H](O)[C@H](O)[C@H]1O |
Homo sapiens |
CHEMBL710105 |
single protein format |
CHEMBL3349432 |
OBDepict
OH
HO
H
OH
H
N
H
H
HO
H
HO
H
H
OH
|
IC50 |
= |
6.1 |
nM |
291.34 |
OC[C@@]1(O)C[C@H](N[C@@H]2CCCC[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL710105 |
single protein format |
CHEMBL120488 |
OBDepict
OH
H
N
H
OH
H
OH
H
HO
Si
H
3
C
CH
3
|
Ki |
= |
10.0 |
nM |
339.51 |
C[Si](C)(CCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1ccccc1 |
Homo sapiens |
CHEMBL683914 |
single protein format |
CHEMBL2374253 |
OBDepict
HO
N
H
H
H
H
OH
HO
H
HO
HO
H
HO
|
IC50 |
= |
13.0 |
nM |
313.35 |
OC[C@H](N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1 |
Homo sapiens |
CHEMBL710105 |
single protein format |
CHEMBL1258643 |
OBDepict
HO
HO
H
OH
H
OH
H
OH
H
+
S
H
H
OH
HO
H
HO
_
Cl
|
Ki |
= |
15.0 |
nM |
350.82 |
OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO.[Cl-] |
Homo sapiens |
CHEMBL1260349 |
single protein format |
CHEMBL3349431 |
OBDepict
OH
N
H
HO
H
OH
HO
H
OH
HO
H
HO
|
IC50 |
= |
15.0 |
nM |
253.25 |
OCN(CO)[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O |
Homo sapiens |
CHEMBL710105 |
single protein format |
CHEMBL1277241 |
OBDepict
HO
OH
H
HO
H
OH
H
HO
H
OH
H
+
Se
H
H
HO
HO
H
HO
_
Cl
|
Ki |
= |
20.0 |
nM |
427.74 |
OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C[Se+]1C[C@@H](O)[C@H](O)[C@H]1CO.[Cl-] |
Homo sapiens |
CHEMBL1286470 |
single protein format |
CHEMBL332802 |
OBDepict
HO
H
N
H
HO
H
OH
H
OH
Si
CH
3
CH
3
CH
3
|
Ki |
= |
28.0 |
nM |
325.48 |
C[Si](C)(C)c1ccc(CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |
Homo sapiens |
CHEMBL683914 |
single protein format |
CHEMBL2051761 |
OBDepict
HO
OH
H
HO
H
N
H
H
OH
H
OH
H
H
H
3
C
H
HO
H
OH
H
NH
2
|
IC50 |
= |
28.0 |
nM |
336.39 |
C[C@H]1C[C@H](N)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O |
Homo sapiens |
CHEMBL710105 |
single protein format |
CHEMBL1276973 |
OBDepict
HO
OH
H
HO
H
OH
H
HO
H
OH
H
+
S
H
H
HO
HO
H
HO
_
Cl
|
Ki |
= |
30.0 |
nM |
380.84 |
OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO.[Cl-] |
Homo sapiens |
CHEMBL1286470 |
single protein format |
CHEMBL501355 |
OBDepict
HO
H
HN
H
OH
H
H
OH
HO
H
HO
|
IC50 |
= |
40.0 |
nM |
193.2 |
OC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
Homo sapiens |
CHEMBL649260 |
single protein format |
CHEMBL1258529 |
OBDepict
HO
HO
H
OH
H
OH
H
OH
H
+
S
H
H
OH
HO
H
HO
_
Cl
|
Ki |
= |
43.0 |
nM |
350.82 |
OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO.[Cl-] |
Homo sapiens |
CHEMBL1260349 |
single protein format |
CHEMBL3349442 |
OBDepict
OH
HO
H
OH
H
N
H
H
OH
H
HO
HO
CH
3
CH
3
H
3
C
H
3
C
H
3
C
CH
3
|
IC50 |
= |
43.0 |
nM |
411.54 |
CC(C)(C)c1cc(CN[C@H]2C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]2O)cc(C(C)(C)C)c1O |
Homo sapiens |
CHEMBL710105 |
single protein format |
CHEMBL121283 |
OBDepict
HO
H
N
H
HO
H
OH
H
OH
Si
CH
3
CH
3
CH
3
|
Ki |
= |
50.0 |
nM |
277.44 |
C[Si](C)(C)CCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |
Homo sapiens |
CHEMBL683914 |
single protein format |
CHEMBL2442258 |
OBDepict
OH
H
N
CH
3
H
HO
H
H
HO
OH
H
OH
|
IC50 |
= |
60.0 |
nM |
207.23 |
CN1[C@H](CO)[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |
Homo sapiens |
CHEMBL649260 |
single protein format |
CHEMBL1277240 |
OBDepict
HO
OH
H
HO
H
OH
H
HO
H
OH
H
N
H
H
HO
HO
H
HO
ClH
|
Ki |
= |
60.0 |
nM |
363.79 |
Cl.OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CN1C[C@@H](O)[C@H](O)[C@H]1CO |
Homo sapiens |
CHEMBL1286470 |
single protein format |
CHEMBL2051762 |
OBDepict
HO
OH
H
HO
H
N
H
H
OH
H
OH
H
H
H
3
C
H
HO
H
OH
H
OH
|
IC50 |
= |
68.0 |
nM |
337.37 |
C[C@H]1C[C@H](O)[C@H](O)[C@@H](O)[C@H]1N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O |
Homo sapiens |
CHEMBL710105 |
single protein format |
CHEMBL120489 |
OBDepict
HO
H
N
H
HO
H
OH
H
OH
Si
CH
3
CH
3
CH
3
|
Ki |
= |
70.0 |
nM |
305.49 |
C[Si](C)(C)CCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |
Homo sapiens |
CHEMBL683914 |
single protein format |
CHEMBL2051982 |
OBDepict
HO
OH
H
HO
H
N
H
H
OH
H
OH
H
H
H
3
C
H
HO
H
OH
H
OH
|
IC50 |
= |
70.0 |
nM |
337.37 |
C[C@H]1C[C@@H](O)[C@H](O)[C@@H](O)[C@H]1N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O |
Homo sapiens |
CHEMBL710105 |
single protein format |
CHEMBL2051981 |
OBDepict
HO
H
O
H
N
H
H
O
H
OH
H
3
C
H
OH
H
H
OH
HO
H
HO
OH
H
HO
|
IC50 |
= |
72.0 |
nM |
369.37 |
CO[C@H]1O[C@H](CO)[C@@H](N[C@H]2C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |
Homo sapiens |
CHEMBL710105 |
single protein format |
CHEMBL1277153 |
OBDepict
OH
OH
H
OH
H
HO
H
O
H
OH
H
S
+
Se
O
O
_
O
H
H
OH
OH
H
HO
|
Ki |
= |
80.0 |
nM |
471.34 |
O=S(=O)([O-])O[C@H]([C@H](O)C[Se+]1C[C@@H](O)[C@H](O)[C@H]1CO)[C@H](O)[C@H](O)[C@@H](O)CO |
Homo sapiens |
CHEMBL1286470 |
single protein format |
CHEMBL120395 |
OBDepict
HO
H
N
H
HO
H
OH
H
OH
Si
CH
3
CH
3
CH
3
CH
3
H
3
C
|
Ki |
= |
87.0 |
nM |
317.5 |
CC(C)(C)[Si](C)(C)/C=C/CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |
Homo sapiens |
CHEMBL683914 |
single protein format |
CHEMBL2051759 |
OBDepict
HO
H
O
H
N
H
H
O
H
OH
H
3
C
H
OH
H
H
OH
HO
H
HO
OH
H
HO
|
IC50 |
= |
100.0 |
nM |
369.37 |
CO[C@H]1O[C@H](CO)[C@H](N[C@H]2C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |
Homo sapiens |
CHEMBL710105 |
single protein format |
CHEMBL1093524 |
OBDepict
OH
OH
H
OH
H
HO
H
O
H
OH
H
S
+
S
O
O
_
O
H
H
OH
OH
H
HO
|
Ki |
= |
100.0 |
nM |
424.45 |
O=S(=O)([O-])O[C@H]([C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO)[C@H](O)[C@@H](O)[C@@H](O)CO |
Homo sapiens |
CHEMBL1112641 |
single protein format |
CHEMBL3349437 |
OBDepict
HO
OH
H
HO
H
N
H
H
OH
H
OH
|
IC50 |
= |
100.0 |
nM |
297.35 |
OC[C@@]1(O)C[C@H](NCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL710105 |
single protein format |
CHEMBL415713 |
OBDepict
OH
H
N
H
HO
H
HO
H
OH
Si
CH
3
CH
3
CH
3
|
Ki |
= |
120.0 |
nM |
291.46 |
C[Si](C)(C)CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |
Homo sapiens |
CHEMBL683914 |
single protein format |
CHEMBL75971 |
OBDepict
OH
H
N
CH
3
H
HO
H
HO
H
HO
|
IC50 |
= |
120.0 |
nM |
177.2 |
CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |
Homo sapiens |
CHEMBL710107 |
cell membrane format |
CHEMBL1093525 |
OBDepict
OH
OH
H
OH
H
HO
H
O
H
OH
H
S
+
S
O
O
_
O
H
H
OH
OH
H
HO
|
Ki |
= |
130.0 |
nM |
424.45 |
O=S(=O)([O-])O[C@H]([C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO)[C@H](O)[C@@H](O)[C@H](O)CO |
Homo sapiens |
CHEMBL1112641 |
single protein format |
CHEMBL3814496 |
OBDepict
HO
O
H
OH
H
+
S
H
+
N
H
HO
OH
H
OH
O
_
O
_
Cl
|
IC50 |
= |
150.0 |
nM |
425.89 |
O=[N+]([O-])c1ccccc1CO[C@@H](CO)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO.[Cl-] |
Homo sapiens |
CHEMBL3815265 |
assay format |
CHEMBL1258528 |
OBDepict
HO
HO
H
OH
H
O
H
HO
H
S
+
S
O
O
_
O
H
H
HO
HO
H
HO
|
Ki |
= |
170.0 |
nM |
394.42 |
O=S(=O)([O-])O[C@H]([C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO)[C@H](O)[C@@H](O)CO |
Homo sapiens |
CHEMBL1260349 |
single protein format |
CHEMBL1093264 |
OBDepict
OH
OH
H
OH
H
HO
H
O
H
OH
H
S
+
S
O
O
_
O
H
H
OH
OH
H
HO
|
Ki |
= |
190.0 |
nM |
424.45 |
O=S(=O)([O-])O[C@H]([C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO)[C@H](O)[C@H](O)[C@@H](O)CO |
Homo sapiens |
CHEMBL1112641 |
single protein format |
CHEMBL3349441 |
OBDepict
OH
OH
H
OH
H
N
H
H
HO
H
HO
S
|
IC50 |
= |
200.0 |
nM |
289.35 |
OC[C@@]1(O)C[C@H](NCc2cccs2)[C@H](O)[C@@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL710105 |
single protein format |
CHEMBL1089559 |
OBDepict
OH
OH
H
OH
H
HO
H
O
H
OH
H
S
+
S
O
O
_
O
H
H
OH
OH
H
HO
|
Ki |
= |
200.0 |
nM |
424.45 |
O=S(=O)([O-])O[C@H]([C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO)[C@H](O)[C@H](O)[C@H](O)CO |
Homo sapiens |
CHEMBL1112641 |
single protein format |
CHEMBL3349435 |
OBDepict
HO
OH
H
HO
H
N
H
H
OH
H
OH
Br
|
IC50 |
= |
230.0 |
nM |
362.22 |
OC[C@@]1(O)C[C@H](NCc2ccc(Br)cc2)[C@H](O)[C@@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL710105 |
single protein format |
CHEMBL3349433 |
OBDepict
HO
OH
H
HO
H
N
H
H
OH
H
OH
|
IC50 |
= |
240.0 |
nM |
289.37 |
OC[C@@]1(O)C[C@H](NCC2CCCCC2)[C@H](O)[C@@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL710105 |
single protein format |
CHEMBL3349443 |
OBDepict
OH
HO
H
OH
H
N
H
H
OH
H
HO
|
IC50 |
= |
270.0 |
nM |
309.36 |
OC[C@@]1(O)C[C@H](NC/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL710105 |
single protein format |
CHEMBL3349446 |
OBDepict
OH
HO
H
OH
H
N
H
H
OH
H
HO
N
|
IC50 |
= |
330.0 |
nM |
284.31 |
OC[C@@]1(O)C[C@H](NCc2cccnc2)[C@H](O)[C@@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL710105 |
single protein format |
CHEMBL307429 |
OBDepict
OH
H
NH
H
HO
H
HO
H
HO
|
IC50 |
= |
360.0 |
nM |
163.17 |
OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL710106 |
cell membrane format |
CHEMBL3349434 |
OBDepict
OH
HO
H
OH
H
N
H
H
OH
H
HO
|
IC50 |
= |
410.0 |
nM |
275.35 |
OC[C@@]1(O)C[C@H](NC2CCCCC2)[C@H](O)[C@@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL710105 |
single protein format |
CHEMBL2115215 |
OBDepict
HO
H
HN
H
OH
H
H
OH
HO
H
HO
|
Ki |
= |
450.0 |
nM |
193.2 |
OC[C@@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL649328 |
single protein format |
CHEMBL3815109 |
OBDepict
OH
O
H
HO
H
+
S
CH
3
H
3
C
CH
3
H
H
HO
OH
H
HO
_
Cl
|
IC50 |
= |
470.0 |
nM |
360.9 |
CC(C)(C)CO[C@@H](CO)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO.[Cl-] |
Homo sapiens |
CHEMBL3815265 |
assay format |
CHEMBL1258644 |
OBDepict
HO
HO
H
HO
H
O
H
HO
H
CH
3
+
S
H
H
HO
HO
H
HO
_
Cl
|
Ki |
= |
500.0 |
nM |
364.84 |
CO[C@H]([C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO)[C@H](O)[C@@H](O)CO.[Cl-] |
Homo sapiens |
CHEMBL1260349 |
single protein format |
CHEMBL3349438 |
OBDepict
OH
OH
H
HO
H
NH
H
HO
H
HO
CH
3
H
3
C
CH
3
|
IC50 |
= |
520.0 |
nM |
329.44 |
CC(C)=CCC/C(C)=C/CN[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O |
Homo sapiens |
CHEMBL710105 |
single protein format |
CHEMBL3349440 |
OBDepict
OH
N
H
HO
H
H
HO
H
H
HO
HO
H
HO
|
IC50 |
= |
550.0 |
nM |
251.28 |
OCC(CO)N[C@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
Homo sapiens |
CHEMBL710105 |
single protein format |
CHEMBL3814911 |
OBDepict
H
3
C
O
H
OH
H
OH
+
S
H
H
HO
OH
H
HO
_
Cl
|
IC50 |
= |
640.0 |
nM |
388.95 |
CCCCCCCO[C@@H](CO)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO.[Cl-] |
Homo sapiens |
CHEMBL3815265 |
assay format |
CHEMBL2051760 |
OBDepict
CH
3
O
H
O
H
HO
H
CH
3
H
HO
H
N
H
H
H
OH
HO
H
HO
HO
H
HO
|
IC50 |
= |
650.0 |
nM |
353.37 |
CO[C@H]1O[C@H](C)[C@H](N[C@H]2C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |
Homo sapiens |
CHEMBL710105 |
single protein format |
CHEMBL3814988 |
OBDepict
HO
O
H
OH
H
+
S
H
3
C
CH
3
H
H
OH
HO
H
HO
_
Cl
|
IC50 |
= |
690.0 |
nM |
346.87 |
CC(C)CO[C@@H](CO)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO.[Cl-] |
Homo sapiens |
CHEMBL3815265 |
assay format |
CHEMBL87169 |
OBDepict
OH
NH
OH
HO
HO
H
HO
|
IC50 |
= |
700.0 |
nM |
193.2 |
OCC1NC(CO)[C@@H](O)C(O)C1O |
Homo sapiens |
CHEMBL649260 |
single protein format |
CHEMBL330763 |
OBDepict
CH
3
Si
CH
3
CH
3
N
H
H
OH
HO
H
HO
H
OH
|
Ki |
= |
900.0 |
nM |
277.44 |
CCC[Si](C)(C)CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |
Homo sapiens |
CHEMBL683914 |
single protein format |
CHEMBL3814838 |
OBDepict
CH
3
O
H
OH
H
HO
+
S
H
H
HO
OH
H
HO
_
Cl
|
IC50 |
= |
960.0 |
nM |
318.82 |
CCO[C@@H](CO)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO.[Cl-] |
Homo sapiens |
CHEMBL3815265 |
assay format |
CHEMBL1561 |
OBDepict
HO
N
H
H
HO
OH
H
OH
H
HO
|
Ki |
= |
1000.0 |
nM |
207.23 |
OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |
Homo sapiens |
CHEMBL1286470 |
single protein format |
CHEMBL1208974 |
OBDepict
OH
O
H
OH
H
S
+
S
O
O
_
O
H
H
OH
HO
H
HO
|
Ki |
= |
1000.0 |
nM |
334.37 |
O=S(=O)([O-])O[C@@H](CO)[C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO |
Homo sapiens |
CHEMBL1286470 |
single protein format |
CHEMBL121223 |
OBDepict
OH
H
N
H
HO
H
HO
H
OH
Si
CH
3
CH
3
CH
3
|
Ki |
= |
1000.0 |
nM |
325.48 |
C[Si](C)(C)c1cccc(CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)c1 |
Homo sapiens |
CHEMBL683914 |
single protein format |
CHEMBL4856375 |
OBDepict
OH
CH
3
NH
H
HO
H
HO
H
OH
ClH
|
IC50 |
= |
1000.0 |
nM |
213.66 |
C[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O.Cl |
Homo sapiens |
CHEMBL4829628 |
single protein format |