molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL87463 |
|
Ki |
= |
5.0 |
nM |
147.17 |
CC1NC[C@@H](O)[C@H](O)C1O |
Homo sapiens |
CHEMBL649590 |
single protein format |
CHEMBL69294 |
OBDepict
OH
NH
H
HO
CH
3
H
HO
H
OH
|
Ki |
= |
5.8 |
nM |
177.2 |
CC1NC(CO)[C@@H](O)[C@@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL819885 |
single protein format |
CHEMBL85773 |
OBDepict
OH
N
H
HO
CH
3
H
OH
OH
|
Ki |
= |
7.0 |
nM |
175.18 |
CC1N=C(CO)[C@@H](O)[C@H](O)C1O |
Homo sapiens |
CHEMBL649589 |
single protein format |
CHEMBL2442786 |
OBDepict
O
N
H
H
NH
H
HO
F
H
CH
3
H
HO
H
HO
|
IC50 |
= |
7.9 |
nM |
298.31 |
C[C@@H]1N[C@H](CC(=O)Nc2ccccc2F)[C@@H](O)[C@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL2445277 |
single protein format |
CHEMBL84647 |
OBDepict
H
3
C
N
H
HO
S
OH
O
O
OH
|
Ki |
= |
10.0 |
nM |
197.21 |
CC1NC(S(=O)(=O)O)C(O)C1O |
Homo sapiens |
CHEMBL649590 |
single protein format |
CHEMBL114103 |
OBDepict
O
N
CH
3
HO
OH
OH
HO
|
IC50 |
= |
11.0 |
nM |
219.24 |
CC1C(O)C(O)C(O)C(CO)N1CC=O |
Homo sapiens |
CHEMBL819879 |
single protein format |
CHEMBL114103 |
OBDepict
O
N
CH
3
HO
OH
OH
HO
|
Ki |
= |
11.0 |
nM |
219.24 |
CC1C(O)C(O)C(O)C(CO)N1CC=O |
Homo sapiens |
CHEMBL819881 |
single protein format |
CHEMBL2114287 |
OBDepict
H
OH
H
CH
3
H
HO
H
HO
H
H
2
N
|
Ki |
= |
12.0 |
nM |
161.2 |
C[C@@H]1C[C@@H](N)[C@@H](O)[C@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL649567 |
single protein format |
CHEMBL2442788 |
OBDepict
O
N
H
H
NH
H
HO
H
CH
3
H
HO
H
HO
F
|
IC50 |
= |
14.0 |
nM |
298.31 |
C[C@@H]1N[C@H](CC(=O)Nc2ccc(F)cc2)[C@@H](O)[C@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL2445277 |
single protein format |
CHEMBL2442783 |
OBDepict
O
N
H
H
NH
H
HO
H
CH
3
H
HO
H
HO
CH
3
|
IC50 |
= |
15.0 |
nM |
294.35 |
Cc1ccc(NC(=O)C[C@H]2N[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1 |
Homo sapiens |
CHEMBL2445277 |
single protein format |
CHEMBL85218 |
OBDepict
CH
3
HN
OH
H
OH
H
H
2
N
|
Ki |
= |
16.0 |
nM |
146.19 |
CC1CN[C@@H](N)[C@H](O)C1O |
Homo sapiens |
CHEMBL649590 |
single protein format |
CHEMBL314757 |
OBDepict
CH
3
N
H
OH
CH
3
HO
HO
|
Ki |
= |
16.0 |
nM |
273.42 |
CCCCCCCCNC1CC(C)C(O)C(O)C1O |
Homo sapiens |
CHEMBL649582 |
tissue-based format |
CHEMBL2442784 |
OBDepict
O
N
H
H
NH
H
HO
H
3
C
H
CH
3
H
HO
H
HO
CH
3
|
IC50 |
= |
19.0 |
nM |
308.38 |
Cc1ccc(NC(=O)C[C@H]2N[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)c(C)c1 |
Homo sapiens |
CHEMBL2445277 |
single protein format |
CHEMBL2442779 |
OBDepict
CH
3
O
N
H
O
H
N
H
H
OH
H
H
3
C
H
HO
H
HO
|
IC50 |
= |
26.0 |
nM |
310.35 |
COc1ccc(NC(=O)C[C@H]2N[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1 |
Homo sapiens |
CHEMBL2445277 |
single protein format |
CHEMBL2442782 |
OBDepict
O
N
H
H
NH
H
HO
H
CH
3
H
HO
CH
3
H
HO
|
IC50 |
= |
30.0 |
nM |
294.35 |
Cc1cccc(NC(=O)C[C@H]2N[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)c1 |
Homo sapiens |
CHEMBL2445277 |
single protein format |
CHEMBL2442777 |
OBDepict
O
N
H
H
NH
H
HO
H
CH
3
H
HO
H
HO
|
IC50 |
= |
30.0 |
nM |
280.32 |
C[C@@H]1N[C@H](CC(=O)Nc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL2445277 |
single protein format |
CHEMBL539176 |
OBDepict
OH
NH
2
H
N
H
O
NH
HO
OH
CH
3
HO
HO
|
Ki |
= |
30.0 |
nM |
293.32 |
CC1NC(CO)(CNC(=O)[C@@H](N)CO)C(O)C(O)C1O |
Homo sapiens |
CHEMBL819881 |
single protein format |
CHEMBL2442787 |
OBDepict
O
N
H
H
NH
H
HO
H
CH
3
H
HO
F
H
HO
|
IC50 |
= |
31.0 |
nM |
298.31 |
C[C@@H]1N[C@H](CC(=O)Nc2cccc(F)c2)[C@@H](O)[C@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL2445277 |
single protein format |
CHEMBL316609 |
OBDepict
OH
NH
HO
HO
CH
3
|
Ki |
= |
32.0 |
nM |
265.35 |
CC1CC(NCCc2ccccc2)C(O)C(O)C1O |
Homo sapiens |
CHEMBL649582 |
tissue-based format |
CHEMBL2442773 |
OBDepict
O
N
H
H
NH
H
HO
F
H
CH
3
H
HO
H
HO
F
|
IC50 |
= |
35.0 |
nM |
316.3 |
C[C@@H]1N[C@H](CC(=O)Nc2ccc(F)cc2F)[C@@H](O)[C@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL2445277 |
single protein format |
CHEMBL539176 |
OBDepict
OH
NH
2
H
N
H
O
NH
HO
OH
CH
3
HO
HO
|
IC50 |
= |
40.0 |
nM |
293.32 |
CC1NC(CO)(CNC(=O)[C@@H](N)CO)C(O)C(O)C1O |
Homo sapiens |
CHEMBL819879 |
single protein format |
CHEMBL95110 |
OBDepict
CH
3
NH
OH
CH
3
HO
HO
|
Ki |
= |
48.0 |
nM |
259.39 |
CCCCCCCNC1CC(C)C(O)C(O)C1O |
Homo sapiens |
CHEMBL649582 |
tissue-based format |
CHEMBL115828 |
OBDepict
NH
2
N
H
O
NH
HO
OH
CH
3
HO
HO
|
IC50 |
= |
50.0 |
nM |
263.29 |
CC1NC(CO)(CNC(=O)CN)C(O)C(O)C1O |
Homo sapiens |
CHEMBL819879 |
single protein format |
CHEMBL2442781 |
OBDepict
O
N
H
H
NH
H
HO
H
3
C
H
CH
3
H
HO
H
HO
|
IC50 |
= |
58.0 |
nM |
294.35 |
Cc1ccccc1NC(=O)C[C@H]1N[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL2445277 |
single protein format |
CHEMBL96392 |
OBDepict
OH
N
H
HO
HO
CH
3
|
Ki |
= |
69.0 |
nM |
251.33 |
CC1CC(NCc2ccccc2)C(O)C(O)C1O |
Homo sapiens |
CHEMBL649582 |
tissue-based format |
CHEMBL319008 |
OBDepict
CH
3
N
H
OH
CH
3
HO
HO
|
Ki |
= |
74.0 |
nM |
217.31 |
CCCCNC1CC(C)C(O)C(O)C1O |
Homo sapiens |
CHEMBL649582 |
tissue-based format |
CHEMBL114487 |
OBDepict
OH
NH
N
HO
CH
3
HO
OH
|
IC50 |
= |
75.0 |
nM |
202.21 |
CC1NC(C#N)(CO)C(O)C(O)C1O |
Homo sapiens |
CHEMBL819879 |
single protein format |
CHEMBL87474 |
OBDepict
OH
H
NH
H
HO
H
CH
3
H
HO
H
HO
|
Ki |
= |
80.0 |
nM |
177.2 |
C[C@@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL649591 |
single protein format |
CHEMBL314772 |
OBDepict
H
OH
NH
H
HO
H
HO
H
CH
3
|
Ki |
= |
80.0 |
nM |
147.17 |
C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL649591 |
single protein format |
CHEMBL2442776 |
OBDepict
H
NH
H
HO
H
CH
3
H
HO
H
HO
|
IC50 |
= |
86.0 |
nM |
265.35 |
C[C@@H]1N[C@H](CCCc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL2445277 |
single protein format |
CHEMBL314757 |
OBDepict
CH
3
N
H
OH
CH
3
HO
HO
|
IC50 |
= |
110.0 |
nM |
273.42 |
CCCCCCCCNC1CC(C)C(O)C(O)C1O |
Homo sapiens |
CHEMBL649574 |
single protein format |
CHEMBL95106 |
OBDepict
CH
3
NH
OH
CH
3
HO
HO
|
Ki |
= |
110.0 |
nM |
287.44 |
CCCCCCCCCNC1CC(C)C(O)C(O)C1O |
Homo sapiens |
CHEMBL649582 |
tissue-based format |
CHEMBL2442780 |
OBDepict
CH
3
N
H
O
H
NH
H
HO
H
CH
3
H
HO
H
HO
|
IC50 |
= |
130.0 |
nM |
260.33 |
CCCCNC(=O)C[C@H]1N[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL2445277 |
single protein format |
CHEMBL85846 |
OBDepict
OH
N
OH
CH
3
|
Ki |
= |
160.0 |
nM |
115.13 |
CC1N=CC(O)C1O |
Homo sapiens |
CHEMBL649590 |
single protein format |
CHEMBL2442774 |
OBDepict
O
N
H
H
NH
H
HO
F
F
H
CH
3
H
HO
H
HO
F
|
IC50 |
= |
180.0 |
nM |
334.29 |
C[C@@H]1N[C@H](CC(=O)Nc2c(F)cc(F)cc2F)[C@@H](O)[C@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL2445277 |
single protein format |
CHEMBL316082 |
OBDepict
H
3
C
NH
OH
H
3
C
OH
OH
|
Ki |
= |
180.0 |
nM |
189.25 |
CCNC1CC(C)C(O)C(O)C1O |
Homo sapiens |
CHEMBL649582 |
tissue-based format |
CHEMBL2442778 |
OBDepict
O
N
H
H
NH
H
HO
H
CH
3
H
HO
H
HO
|
IC50 |
= |
190.0 |
nM |
294.35 |
C[C@@H]1N[C@H](CC(=O)NCc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL2445277 |
single protein format |
CHEMBL2115269 |
OBDepict
H
OH
H
CH
3
H
HO
H
HO
H
H
2
N
|
Ki |
= |
200.0 |
nM |
161.2 |
C[C@@H]1C[C@H](N)[C@@H](O)[C@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL649567 |
single protein format |
CHEMBL2442785 |
OBDepict
O
N
H
H
NH
H
HO
H
3
C
H
3
C
H
CH
3
H
HO
H
HO
CH
3
|
IC50 |
= |
200.0 |
nM |
322.41 |
Cc1cc(C)c(NC(=O)C[C@H]2N[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)c(C)c1 |
Homo sapiens |
CHEMBL2445277 |
single protein format |
CHEMBL115930 |
OBDepict
HO
HN
N
H
OH
H
3
C
OH
O
HO
N
H
O
O
|
IC50 |
= |
200.0 |
nM |
397.43 |
CC1NC(CO)(CNC(=O)CNC(=O)OCc2ccccc2)C(O)C(O)C1O |
Homo sapiens |
CHEMBL819879 |
single protein format |
CHEMBL326403 |
OBDepict
NH
2
NH
OH
HO
CH
3
HO
OH
|
IC50 |
= |
206.0 |
nM |
206.24 |
CC1NC(CN)(CO)C(O)C(O)C1O |
Homo sapiens |
CHEMBL819879 |
single protein format |
CHEMBL85817 |
OBDepict
H
2
C
O
O
H
O
OH
HO
HO
S
OH
CH
3
H
OH
OH
|
Ki |
= |
210.0 |
nM |
382.43 |
C=CCOC1OC(CO)C(O)C(O)[C@H]1OC1SC(C)C(O)[C@@H](O)C1O |
Homo sapiens |
CHEMBL649568 |
single protein format |
CHEMBL314277 |
OBDepict
CH
3
OH
H
2
N
H
OH
H
HO
|
Ki |
= |
230.0 |
nM |
161.2 |
CC1CC(N)[C@@H](O)[C@H](O)C1O |
Homo sapiens |
CHEMBL649590 |
single protein format |
CHEMBL316609 |
OBDepict
OH
NH
HO
HO
CH
3
|
IC50 |
= |
240.0 |
nM |
265.35 |
CC1CC(NCCc2ccccc2)C(O)C(O)C1O |
Homo sapiens |
CHEMBL649574 |
single protein format |
CHEMBL95106 |
OBDepict
CH
3
NH
OH
CH
3
HO
HO
|
IC50 |
= |
240.0 |
nM |
287.44 |
CCCCCCCCCNC1CC(C)C(O)C(O)C1O |
Homo sapiens |
CHEMBL649574 |
single protein format |
CHEMBL95110 |
OBDepict
CH
3
NH
OH
CH
3
HO
HO
|
IC50 |
= |
270.0 |
nM |
259.39 |
CCCCCCCNC1CC(C)C(O)C(O)C1O |
Homo sapiens |
CHEMBL649574 |
single protein format |
CHEMBL314772 |
OBDepict
H
OH
NH
H
HO
H
HO
H
CH
3
|
IC50 |
= |
410.0 |
nM |
147.17 |
C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL649574 |
single protein format |
CHEMBL205277 |
OBDepict
H
3
C
N
H
3
C
S
HN
O
O
N
H
H
3
C
H
OH
H
OH
H
OH
|
Ki |
= |
500.0 |
nM |
479.64 |
C[C@H]1[C@@H](O)[C@@H](O)[C@H](O)CN1CCCCCCNS(=O)(=O)c1cccc2c(N(C)C)cccc12 |
Homo sapiens |
CHEMBL868411 |
assay format |
CHEMBL85171 |
OBDepict
CH
3
N
H
HO
HO
H
HO
|
Ki |
= |
680.0 |
nM |
237.3 |
CC1C(NCc2ccccc2)C(O)[C@H](O)C1O |
Homo sapiens |
CHEMBL649590 |
single protein format |
CHEMBL116366 |
OBDepict
CH
3
N
H
H
H
HO
CH
3
HO
H
HO
|
IC50 |
= |
700.0 |
nM |
301.47 |
CCCCCCCCCCN[C@H]1CC(C)[C@@H](O)C(O)[C@@H]1O |
Homo sapiens |
CHEMBL646853 |
tissue-based format |
CHEMBL313893 |
OBDepict
NH
2
HN
N
H
HO
CH
3
H
OH
OH
|
Ki |
= |
820.0 |
nM |
175.19 |
CC1N=C(NN)[C@@H](O)[C@H](O)C1O |
Homo sapiens |
CHEMBL649590 |
single protein format |
CHEMBL2442775 |
OBDepict
CH
3
H
N
H
H
OH
H
H
3
C
H
HO
H
HO
|
IC50 |
= |
890.0 |
nM |
231.34 |
CCCCCC[C@H]1N[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL2445277 |
single protein format |
CHEMBL319008 |
OBDepict
CH
3
N
H
OH
CH
3
HO
HO
|
IC50 |
= |
920.0 |
nM |
217.31 |
CCCCNC1CC(C)C(O)C(O)C1O |
Homo sapiens |
CHEMBL649574 |
single protein format |
CHEMBL96392 |
OBDepict
OH
N
H
HO
HO
CH
3
|
IC50 |
= |
1000.0 |
nM |
251.33 |
CC1CC(NCc2ccccc2)C(O)C(O)C1O |
Homo sapiens |
CHEMBL649574 |
single protein format |