molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL146746 |
|
Ki |
= |
0.873 |
nM |
483.57 |
CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H](N)CCS(=O)(=O)O)C(=O)N1CCC(C(=O)O)[C@H]1C(=O)O |
Homo sapiens |
CHEMBL873060 |
single protein format |
CHEMBL358903 |
OBDepict
CH
3
CH
3
H
N
H
H
N
H
O
O
H
HS
H
O
OH
H
2
N
H
O
OH
S
O
O
OH
|
Ki |
= |
3.2 |
nM |
457.53 |
CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H](N)CCS(=O)(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O |
Homo sapiens |
CHEMBL873060 |
single protein format |
CHEMBL348205 |
OBDepict
CH
3
H
3
C
H
NH
H
N
H
O
O
H
HS
H
O
OH
H
2
N
H
O
OH
O
OH
|
Ki |
= |
3.56 |
nM |
421.47 |
CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H](N)CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O |
Homo sapiens |
CHEMBL873060 |
single protein format |
CHEMBL148777 |
OBDepict
H
3
C
H
3
C
H
N
H
H
N
H
O
O
H
SH
H
O
HO
S
NH
2
H
O
O
HO
S
O
O
OH
|
Ki |
= |
3.6 |
nM |
493.58 |
CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H](N)CCS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)O |
Homo sapiens |
CHEMBL873060 |
single protein format |
CHEMBL151631 |
OBDepict
H
3
C
H
3
C
H
N
H
H
N
O
O
H
SH
H
O
HO
NH
2
H
O
HO
S
O
O
OH
|
Ki |
= |
3.83 |
nM |
483.57 |
CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H](N)CCS(=O)(=O)O)C(=O)N1CCC(C(=O)O)[C@@H]1C(=O)O |
Homo sapiens |
CHEMBL873060 |
single protein format |
CHEMBL147285 |
OBDepict
HO
O
N
H
H
O
OH
O
N
H
H
O
SH
H
NH
2
H
OH
S
O
O
OH
|
Ki |
= |
4.3 |
nM |
507.54 |
N[C@H](CCS(=O)(=O)O)[C@@H](S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)O |
Homo sapiens |
CHEMBL873060 |
single protein format |
CHEMBL359101 |
OBDepict
CH
3
CH
3
H
N
H
H
N
H
O
O
H
HS
H
O
OH
H
2
N
H
O
OH
S
O
O
OH
|
Ki |
= |
5.36 |
nM |
457.53 |
CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H](N)CCS(=O)(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)O |
Homo sapiens |
CHEMBL873060 |
single protein format |
CHEMBL347763 |
OBDepict
HO
NH
H
N
H
O
O
H
HS
H
O
OH
NH
2
H
S
O
O
OH
S
O
O
HO
|
Ki |
= |
9.3 |
nM |
557.63 |
N[C@H](CCS(=O)(=O)O)[C@@H](S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCS(=O)(=O)O)C(=O)O |
Homo sapiens |
CHEMBL873060 |
single protein format |
CHEMBL356858 |
OBDepict
CH
3
CH
3
H
N
H
H
N
H
O
O
H
HS
H
O
OH
H
2
N
H
O
OH
P
O
OH
OH
|
Ki |
= |
12.0 |
nM |
457.44 |
CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H](N)CCP(=O)(O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O |
Homo sapiens |
CHEMBL873060 |
single protein format |
CHEMBL346397 |
OBDepict
CH
3
H
3
C
H
NH
H
N
H
O
O
H
HS
H
O
OH
H
2
N
H
O
OH
O
OH
|
Ki |
= |
13.0 |
nM |
421.47 |
CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O |
Homo sapiens |
CHEMBL873060 |
single protein format |
CHEMBL4217064 |
OBDepict
CH
3
H
3
C
H
HN
H
N
H
O
O
H
SH
O
HO
NH
2
O
HO
O
OH
|
Ki |
= |
13.0 |
nM |
421.47 |
CC[C@H](C)[C@H](NC(=O)C(S)C(N)CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O |
Homo sapiens |
CHEMBL4194806 |
single protein format |
CHEMBL433935 |
OBDepict
CH
3
CH
3
H
N
H
H
N
H
O
O
H
HS
H
O
OH
H
2
N
H
O
OH
S
O
O
OH
|
Ki |
= |
14.7 |
nM |
457.53 |
CC[C@H](C)[C@@H](NC(=O)[C@H](S)[C@H](N)CCS(=O)(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O |
Homo sapiens |
CHEMBL873060 |
single protein format |
CHEMBL148482 |
OBDepict
CH
3
CH
3
H
N
H
H
N
H
O
O
H
HS
H
O
NH
2
H
2
N
H
O
OH
S
O
O
OH
|
Ki |
= |
15.0 |
nM |
456.54 |
CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H](N)CCS(=O)(=O)O)C(=O)N[C@@H](CC(=O)O)C(N)=O |
Homo sapiens |
CHEMBL873060 |
single protein format |
CHEMBL146922 |
OBDepict
CH
3
H
3
C
H
NH
H
N
H
O
O
H
HS
H
O
OH
H
2
N
H
O
OH
O
OH
|
Ki |
= |
16.0 |
nM |
421.47 |
CC[C@@H](C)[C@H](NC(=O)[C@@H](S)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O |
Homo sapiens |
CHEMBL873060 |
single protein format |
CHEMBL345941 |
OBDepict
CH
3
CH
3
H
N
H
H
N
H
O
O
H
HS
H
O
OH
H
2
N
H
O
OH
S
O
O
OH
|
Ki |
= |
20.0 |
nM |
457.53 |
CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@@H](N)CCS(=O)(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O |
Homo sapiens |
CHEMBL873060 |
single protein format |
CHEMBL151900 |
OBDepict
HO
O
N
H
H
O
OH
O
N
H
H
O
SH
H
NH
2
H
OH
S
O
O
OH
|
Ki |
= |
27.0 |
nM |
507.54 |
N[C@H](CCS(=O)(=O)O)[C@H](S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)O |
Homo sapiens |
CHEMBL873060 |
single protein format |
CHEMBL149449 |
OBDepict
CH
3
CH
3
H
HN
H
O
HO
O
SH
H
H
2
N
H
S
O
O
HO
|
Ki |
= |
40.0 |
nM |
342.44 |
CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H](N)CCS(=O)(=O)O)C(=O)O |
Homo sapiens |
CHEMBL873060 |
single protein format |
CHEMBL148781 |
OBDepict
CH
3
CH
3
H
N
H
H
N
H
O
O
H
HS
H
O
OH
H
2
N
H
O
OH
S
O
O
OH
|
Ki |
= |
50.0 |
nM |
457.53 |
CC[C@@H](C)[C@H](NC(=O)[C@@H](S)[C@@H](N)CCS(=O)(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O |
Homo sapiens |
CHEMBL873060 |
single protein format |
CHEMBL1161295 |
OBDepict
CH
3
CH
3
H
N
H
H
NH
O
H
HS
O
OH
H
2
N
O
OH
S
O
O
NH
2
|
Ki |
= |
51.0 |
nM |
442.56 |
CC[C@@H](C)[C@H](NCC(S)C(N)CCS(N)(=O)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O |
Homo sapiens |
CHEMBL873060 |
single protein format |
CHEMBL149436 |
OBDepict
CH
3
CH
3
H
N
H
H
N
H
O
O
H
HS
H
O
OH
H
2
N
H
O
OH
S
O
O
OH
|
Ki |
= |
53.0 |
nM |
457.53 |
CC[C@@H](C)[C@H](NC(=O)[C@@H](S)[C@H](N)CCS(=O)(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O |
Homo sapiens |
CHEMBL873060 |
single protein format |
CHEMBL88808 |
OBDepict
OH
O
P
O
HO
NH
2
HO
|
Ki |
= |
67.0 |
nM |
377.38 |
NC(CCc1ccccc1)P(=O)(O)CC(Cc1ccc(O)cc1)C(=O)O |
Homo sapiens |
CHEMBL4194816 |
single protein format |
CHEMBL357586 |
OBDepict
HO
NH
H
N
H
O
O
H
HS
H
O
OH
NH
2
H
S
O
O
OH
S
O
O
HO
|
Ki |
= |
73.3 |
nM |
557.63 |
N[C@H](CCS(=O)(=O)O)[C@H](S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCS(=O)(=O)O)C(=O)O |
Homo sapiens |
CHEMBL873060 |
single protein format |
CHEMBL1161305 |
OBDepict
CH
3
CH
3
H
N
H
H
NH
O
O
H
HS
O
OH
H
2
N
O
OH
S
O
O
NH
2
|
Ki |
= |
80.0 |
nM |
456.54 |
CC[C@@H](C)[C@H](NC(=O)C(S)C(N)CCS(N)(=O)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O |
Homo sapiens |
CHEMBL873060 |
single protein format |
CHEMBL436269 |
OBDepict
H
3
C
H
3
C
H
N
H
H
N
H
O
O
H
SH
H
O
HO
S
NH
2
H
O
O
HO
S
O
O
OH
|
Ki |
= |
83.3 |
nM |
493.58 |
CC[C@@H](C)[C@H](NC(=O)[C@@H](S)[C@H](N)CCS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)O |
Homo sapiens |
CHEMBL873060 |
single protein format |
CHEMBL357167 |
OBDepict
H
3
C
H
3
C
H
N
H
H
N
O
O
H
SH
H
O
HO
NH
2
H
O
HO
S
O
O
OH
|
Ki |
= |
110.0 |
nM |
483.57 |
CC[C@@H](C)[C@H](NC(=O)[C@@H](S)[C@H](N)CCS(=O)(=O)O)C(=O)N1CCC(C(=O)O)[C@H]1C(=O)O |
Homo sapiens |
CHEMBL873060 |
single protein format |
CHEMBL4204736 |
OBDepict
O
NH
H
P
H
3
C
O
OH
O
HO
NH
2
H
3
C
|
Ki |
= |
130.0 |
nM |
432.46 |
CC(N)P(=O)(O)C[C@@H](Cc1ccccc1)C(=O)N[C@@](C)(Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL4194825 |
single protein format |
CHEMBL101147 |
OBDepict
HS
NH
2
H
O
OH
|
Ki |
= |
130.0 |
nM |
163.24 |
N[C@H](CS)CCCC(=O)O |
Homo sapiens |
CHEMBL646207 |
single protein format |
CHEMBL28124 |
OBDepict
H
NH
2
HS
O
HO
|
Ki |
= |
140.0 |
nM |
149.21 |
N[C@H](CS)CCC(=O)O |
Homo sapiens |
CHEMBL646207 |
single protein format |
CHEMBL348192 |
OBDepict
CH
3
CH
3
H
HN
H
O
H
2
N
O
SH
H
H
2
N
H
S
O
O
HO
|
Ki |
= |
145.0 |
nM |
341.46 |
CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H](N)CCS(=O)(=O)O)C(N)=O |
Homo sapiens |
CHEMBL873060 |
single protein format |
CHEMBL1161304 |
OBDepict
HO
O
NH
H
O
OH
O
NH
H
O
HS
NH
2
OH
S
O
O
NH
2
|
Ki |
= |
150.0 |
nM |
506.56 |
NC(CCS(N)(=O)=O)C(S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)O |
Homo sapiens |
CHEMBL873060 |
single protein format |
CHEMBL151630 |
OBDepict
H
3
C
H
3
C
H
N
H
H
N
O
O
H
SH
H
O
HO
NH
2
H
O
HO
S
O
O
OH
|
Ki |
= |
240.0 |
nM |
483.57 |
CC[C@@H](C)[C@H](NC(=O)[C@@H](S)[C@H](N)CCS(=O)(=O)O)C(=O)N1CCC(C(=O)O)[C@@H]1C(=O)O |
Homo sapiens |
CHEMBL873060 |
single protein format |
CHEMBL344321 |
OBDepict
CH
3
H
3
C
H
NH
H
N
H
O
O
H
HS
H
O
OH
H
2
N
H
O
OH
O
OH
|
Ki |
= |
267.0 |
nM |
421.47 |
CC[C@@H](C)[C@H](NC(=O)[C@@H](S)[C@H](N)CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O |
Homo sapiens |
CHEMBL873060 |
single protein format |
CHEMBL102084 |
OBDepict
HS
NH
2
O
OH
O
HO
|
Ki |
= |
280.0 |
nM |
207.25 |
NC(CS)CCC(C(=O)O)C(=O)O |
Homo sapiens |
CHEMBL646207 |
single protein format |
CHEMBL149339 |
OBDepict
CH
3
CH
3
H
N
H
H
N
H
O
O
H
HS
H
O
OH
H
2
N
H
O
OH
S
O
O
OH
|
Ki |
= |
283.0 |
nM |
457.53 |
CC[C@@H](C)[C@H](NC(=O)[C@@H](S)[C@H](N)CCS(=O)(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)O |
Homo sapiens |
CHEMBL873060 |
single protein format |
CHEMBL100575 |
OBDepict
HS
H
2
N
H
S
O
O
_
O
+
Na
|
Ki |
= |
290.0 |
nM |
207.25 |
N[C@H](CS)CCS(=O)(=O)[O-].[Na+] |
Homo sapiens |
CHEMBL646207 |
single protein format |
CHEMBL149145 |
OBDepict
CH
3
CH
3
H
N
H
H
N
H
O
O
H
HS
H
O
OH
H
2
N
H
O
OH
S
O
O
OH
|
Ki |
= |
292.0 |
nM |
457.53 |
CC[C@H](C)[C@@H](NC(=O)[C@@H](S)[C@H](N)CCS(=O)(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O |
Homo sapiens |
CHEMBL873060 |
single protein format |
CHEMBL330184 |
OBDepict
HS
NH
2
H
S
O
O
_
O
+
Na
|
Ki |
= |
370.0 |
nM |
221.28 |
N[C@H](CS)CCCS(=O)(=O)[O-].[Na+] |
Homo sapiens |
CHEMBL646207 |
single protein format |
CHEMBL441816 |
OBDepict
HS
NH
2
P
O
OH
HO
|
Ki |
= |
390.0 |
nM |
185.19 |
NC(CS)CCP(=O)(O)O |
Homo sapiens |
CHEMBL646207 |
single protein format |
CHEMBL147410 |
OBDepict
CH
3
CH
3
H
N
H
H
N
H
O
O
H
HS
H
O
NH
2
H
2
N
H
O
OH
S
O
O
OH
|
Ki |
= |
470.0 |
nM |
456.54 |
CC[C@@H](C)[C@H](NC(=O)[C@@H](S)[C@H](N)CCS(=O)(=O)O)C(=O)N[C@@H](CC(=O)O)C(N)=O |
Homo sapiens |
CHEMBL873060 |
single protein format |
CHEMBL103306 |
OBDepict
HS
NH
2
P
O
OH
OH
|
Ki |
= |
510.0 |
nM |
199.21 |
NC(CS)CCCP(=O)(O)O |
Homo sapiens |
CHEMBL646207 |
single protein format |
CHEMBL283227 |
OBDepict
SH
NH
2
O
OH
|
Ki |
= |
840.0 |
nM |
211.29 |
NC(CS)Cc1cccc(C(=O)O)c1 |
Homo sapiens |
CHEMBL646206 |
single protein format |
CHEMBL103952 |
OBDepict
HS
H
2
N
H
CH
3
O
OH
|
Ki |
= |
870.0 |
nM |
163.24 |
CC(C[C@H](N)CS)C(=O)O |
Homo sapiens |
CHEMBL646207 |
single protein format |
CHEMBL27824 |
OBDepict
H
N
H
CH
3
HS
O
HO
|
Ki |
= |
870.0 |
nM |
163.24 |
CN[C@H](CS)CCC(=O)O |
Homo sapiens |
CHEMBL646206 |
single protein format |
CHEMBL149947 |
OBDepict
CH
3
CH
3
H
N
H
H
N
H
O
O
H
HS
H
O
OH
H
2
N
H
O
OH
P
O
OH
OH
|
Ki |
= |
910.0 |
nM |
457.44 |
CC[C@@H](C)[C@H](NC(=O)[C@@H](S)[C@H](N)CCP(=O)(O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O |
Homo sapiens |
CHEMBL873060 |
single protein format |
CHEMBL102006 |
OBDepict
HS
NH
2
H
O
OH
|
Ki |
= |
980.0 |
nM |
163.24 |
N[C@@H](CS)CCCC(=O)O |
Homo sapiens |
CHEMBL646207 |
single protein format |