molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL29292 |
|
Ki |
= |
0.6 |
nM |
308.38 |
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL881814 |
single protein format |
CHEMBL254284 |
OBDepict
OH
O
H
P
O
HO
NH
2
H
|
Ki |
= |
45.0 |
nM |
361.38 |
N[C@@H](CCc1ccccc1)P(=O)(O)C[C@@H](Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL929612 |
single protein format |
CHEMBL4208547 |
OBDepict
NH
2
B
O
O
CH
3
CH
3
CH
3
H
3
C
|
Ki |
= |
50.0 |
nM |
247.15 |
CC1(C)OB(C(N)Cc2ccccc2)OC1(C)C |
Homo sapiens |
CHEMBL4194821 |
single protein format |
CHEMBL88476 |
OBDepict
O
NH
2
CH
3
CH
3
|
Ki |
= |
60.0 |
nM |
115.18 |
CC(C)CC(N)C=O |
Homo sapiens |
CHEMBL881814 |
single protein format |
CHEMBL2153736 |
OBDepict
H
3
C
CH
3
O
HO
P
O
OH
NH
2
H
H
3
C
H
3
C
|
Ki |
= |
65.0 |
nM |
279.32 |
CC(C)CC(CP(=O)(O)[C@@H](N)CC(C)C)C(=O)O |
Homo sapiens |
CHEMBL2155991 |
single protein format |
CHEMBL328319 |
OBDepict
H
3
C
CH
3
O
HO
P
O
OH
H
2
N
H
3
C
H
3
C
|
Ki |
= |
65.0 |
nM |
279.32 |
CC(C)CC(CP(=O)(O)C(N)CC(C)C)C(=O)O |
Homo sapiens |
CHEMBL881814 |
single protein format |
CHEMBL327844 |
OBDepict
OH
O
P
O
HO
NH
2
|
Ki |
= |
66.0 |
nM |
361.38 |
NC(CCc1ccccc1)P(=O)(O)CC(Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL881814 |
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 |
CHEMBL881814 |
single protein format |
CHEMBL327182 |
OBDepict
H
3
C
CH
3
O
HO
P
O
OH
H
2
N
|
Ki |
= |
74.0 |
nM |
327.36 |
CC(C)CC(CP(=O)(O)C(N)CCc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL881814 |
single protein format |
CHEMBL284501 |
OBDepict
CH
3
O
O
O
NH
2
H
H
3
C
CH
3
|
Ki |
= |
76.0 |
nM |
199.25 |
COC(=O)/C=CC(=O)[C@@H](N)CC(C)C |
Homo sapiens |
CHEMBL706550 |
single protein format |
CHEMBL1689155 |
OBDepict
H
3
C
CH
3
NH
H
O
OH
O
HO
H
NH
2
H
CH
3
CH
3
|
Ki |
= |
120.0 |
nM |
274.36 |
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC(C)C)C(=O)O |
Homo sapiens |
CHEMBL706599 |
single protein format |
CHEMBL79092 |
OBDepict
O
N
HO
H
NH
2
H
S
H
N
O
H
NH
O
CH
3
H
O
H
2
N
|
IC50 |
= |
180.0 |
nM |
477.59 |
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(N)=O |
Homo sapiens |
CHEMBL708591 |
single protein format |
CHEMBL28650 |
OBDepict
H
3
C
CH
3
NH
2
H
OH
H
N
H
O
H
HN
O
H
3
C
H
3
C
H
N
H
O
H
3
C
CH
3
H
O
HO
O
OH
|
Ki |
= |
220.0 |
nM |
474.56 |
CC(C)C[C@@H](N)[C@H](O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C)C(C)C |
Homo sapiens |
CHEMBL706541 |
single protein format |
CHEMBL40422 |
OBDepict
H
P
H
2
N
O
OH
OH
CH
3
H
3
C
|
Ki |
= |
230.0 |
nM |
167.15 |
CC(C)C[C@H](N)P(=O)(O)O |
Homo sapiens |
CHEMBL706601 |
single protein format |
CHEMBL1093530 |
OBDepict
H
2
N
P
O
O
OH
H
3
C
H
3
C
|
Ki |
= |
230.0 |
nM |
243.24 |
CC(C)CC(N)P(=O)(O)Oc1ccccc1 |
Homo sapiens |
CHEMBL1115226 |
single protein format |
CHEMBL89318 |
OBDepict
H
2
N
P
O
OH
OH
H
3
C
H
3
C
|
Ki |
= |
230.0 |
nM |
167.14 |
CC(C)CC(N)P(=O)(O)O |
Homo sapiens |
CHEMBL881814 |
single protein format |
CHEMBL252204 |
OBDepict
OH
O
H
P
O
HO
NH
2
H
|
Ki |
= |
271.0 |
nM |
361.38 |
N[C@@H](CCc1ccccc1)P(=O)(O)C[C@H](Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL929612 |
single protein format |
CHEMBL311875 |
OBDepict
O
N
HO
H
NH
2
H
H
N
O
H
NH
O
CH
3
H
O
H
2
N
|
IC50 |
= |
300.0 |
nM |
459.55 |
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(N)=O |
Homo sapiens |
CHEMBL708591 |
single protein format |
CHEMBL88179 |
OBDepict
CH
3
CH
3
P
NH
2
O
OH
O
HO
|
Ki |
= |
330.0 |
nM |
223.21 |
CC(C)CC(N)P(=O)(O)CCC(=O)O |
Homo sapiens |
CHEMBL881814 |
single protein format |
CHEMBL68979 |
OBDepict
H
HO
H
2
N
H
N
HS
H
O
OH
H
3
C
H
3
C
OH
O
F
F
F
|
Ki |
= |
330.0 |
nM |
438.47 |
CC(C)C[C@H](/N=C(S)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)O.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL706596 |
single protein format |
CHEMBL40813 |
OBDepict
H
P
H
2
N
O
OH
OH
|
Ki |
= |
420.0 |
nM |
201.16 |
N[C@@H](Cc1ccccc1)P(=O)(O)O |
Homo sapiens |
CHEMBL706601 |
single protein format |
CHEMBL1093247 |
OBDepict
NH
2
P
O
O
OH
|
Ki |
= |
420.0 |
nM |
277.26 |
NC(Cc1ccccc1)P(=O)(O)Oc1ccccc1 |
Homo sapiens |
CHEMBL1115226 |
single protein format |
CHEMBL1090913 |
OBDepict
H
2
N
P
O
OH
OH
|
Ki |
= |
420.0 |
nM |
201.16 |
NC(Cc1ccccc1)P(=O)(O)O |
Homo sapiens |
CHEMBL1115226 |
single protein format |
CHEMBL38475 |
OBDepict
H
3
C
P
H
2
N
O
OH
OH
|
Ki |
= |
470.0 |
nM |
209.23 |
CCCCCCCC(N)P(=O)(O)O |
Homo sapiens |
CHEMBL706602 |
single protein format |
CHEMBL134319 |
OBDepict
H
HO
NH
2
H
N
H
O
H
3
C
CH
3
|
Ki |
= |
500.0 |
nM |
264.37 |
CC(C)CCNC(=O)[C@H](O)[C@@H](N)Cc1ccccc1 |
Homo sapiens |
CHEMBL706600 |
single protein format |
CHEMBL309130 |
OBDepict
H
HO
NH
2
H
N
H
O
H
3
C
CH
3
|
Ki |
= |
510.0 |
nM |
264.37 |
CC(C)CCNC(=O)[C@@H](O)[C@H](N)Cc1ccccc1 |
Homo sapiens |
CHEMBL706596 |
single protein format |
CHEMBL305198 |
OBDepict
H
HS
NH
2
H
N
H
O
H
O
OH
H
3
C
CH
3
|
Ki |
= |
550.0 |
nM |
324.45 |
CC(C)C[C@H](NC(=O)[C@@H](S)[C@H](N)Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL706596 |
single protein format |
CHEMBL3143143 |
OBDepict
CH
3
CH
3
N
H
O
N
H
H
CH
3
H
3
C
O
N
H
H
CH
3
H
3
C
O
HO
H
H
2
N
H
CH
3
H
3
C
|
Ki |
= |
890.0 |
nM |
428.62 |
CC(C)CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](O)[C@@H](N)CC(C)C)C(C)C)C(C)C |
Homo sapiens |
CHEMBL856600 |
single protein format |
CHEMBL393949 |
OBDepict
OH
O
H
P
O
HO
NH
2
H
|
Ki |
= |
988.0 |
nM |
361.38 |
N[C@H](CCc1ccccc1)P(=O)(O)C[C@@H](Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL929612 |
single protein format |
CHEMBL1204264 |
OBDepict
H
SH
H
2
N
H
N
H
O
H
O
HO
CH
3
H
3
C
ClH
|
Ki |
= |
1000.0 |
nM |
360.91 |
CC(C)C[C@H](NC(=O)[C@@H](S)[C@H](N)Cc1ccccc1)C(=O)O.Cl |
Homo sapiens |
CHEMBL706596 |
single protein format |
CHEMBL40508 |
OBDepict
H
3
C
P
H
2
N
O
OH
OH
|
Ki |
= |
1000.0 |
nM |
181.17 |
CCCCCC(N)P(=O)(O)O |
Homo sapiens |
CHEMBL706601 |
single protein format |