molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL115348 |
|
IC50 |
= |
12.0 |
nM |
528.68 |
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSC/C(=N/O)c1ccccc1)C(=O)NO |
Homo sapiens |
CHEMBL655812 |
assay format |
CHEMBL118054 |
OBDepict
HO
NH
O
H
H
S
NH
O
CH
3
H
3
C
H
O
O
O
H
2
N
CH
3
|
IC50 |
= |
13.0 |
nM |
453.56 |
COC(=O)CSC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |
Homo sapiens |
CHEMBL655812 |
assay format |
CHEMBL324564 |
OBDepict
H
3
C
NH
O
N
H
H
O
H
H
N
H
O
S
CH
3
H
3
C
HO
O
|
IC50 |
= |
16.0 |
nM |
513.66 |
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSCC(=O)c1ccccc1)C(=O)NO |
Homo sapiens |
CHEMBL655812 |
assay format |
CHEMBL322050 |
OBDepict
HO
N
H
O
OH
H
H
N
H
O
S
H
O
H
2
N
|
IC50 |
= |
20.0 |
nM |
441.51 |
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc2ccccc2s1)[C@H](O)C(=O)NO |
Homo sapiens |
CHEMBL694791 |
single protein format |
CHEMBL432583 |
OBDepict
OH
N
H
O
HO
H
H
N
H
O
H
H
3
C
H
3
C
CH
3
O
H
2
N
|
IC50 |
= |
20.0 |
nM |
401.46 |
CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)NO)C(N)=O |
Homo sapiens |
CHEMBL694791 |
single protein format |
CHEMBL323228 |
OBDepict
OH
N
H
O
HO
H
H
N
H
O
H
N
H
3
C
H
3
C
CH
3
O
H
2
N
|
IC50 |
= |
20.0 |
nM |
402.45 |
CC(C)(C)[C@H](NC(=O)[C@H](Cc1cnc2ccccc2c1)[C@H](O)C(=O)NO)C(N)=O |
Homo sapiens |
CHEMBL694791 |
single protein format |
CHEMBL115326 |
OBDepict
OH
HN
O
H
H
S
NH
O
CH
3
H
3
C
H
O
O
NH
2
|
IC50 |
= |
20.0 |
nM |
499.63 |
CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@H](CSCC(=O)c1ccccc1)C(=O)NO |
Homo sapiens |
CHEMBL655812 |
assay format |
CHEMBL115211 |
OBDepict
H
3
C
N
H
O
HN
H
O
H
H
N
H
O
S
CH
3
H
3
C
HO
|
IC50 |
= |
30.0 |
nM |
485.65 |
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSCc1ccccc1)C(=O)NO |
Homo sapiens |
CHEMBL655817 |
assay format |
CHEMBL424251 |
OBDepict
OH
N
H
O
H
H
S
N
H
O
H
3
C
CH
3
S
H
O
H
2
N
|
IC50 |
= |
30.0 |
nM |
463.63 |
CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@H](CSc1cccs1)C(=O)NO |
Homo sapiens |
CHEMBL655812 |
assay format |
CHEMBL114427 |
OBDepict
CH
3
N
H
O
NH
H
O
H
H
N
H
O
S
H
3
C
CH
3
OH
|
IC50 |
= |
40.0 |
nM |
471.62 |
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1ccccc1)C(=O)NO |
Homo sapiens |
CHEMBL655818 |
assay format |
CHEMBL114657 |
OBDepict
OH
HN
O
H
H
S
N
H
O
CH
3
H
3
C
H
NH
O
H
3
C
OH
|
IC50 |
= |
40.0 |
nM |
487.62 |
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1ccc(O)cc1)C(=O)NO |
Homo sapiens |
CHEMBL655818 |
assay format |
CHEMBL320799 |
OBDepict
OH
HN
O
H
H
S
N
H
O
CH
3
H
3
C
H
NH
O
H
3
C
O
O
CH
3
|
IC50 |
= |
50.0 |
nM |
529.66 |
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1ccc(C(=O)OC)cc1)C(=O)NO |
Homo sapiens |
CHEMBL651875 |
assay format |
CHEMBL326148 |
OBDepict
OH
NH
O
H
H
S
HN
O
H
3
C
CH
3
H
N
O
H
2
N
HO
Cl
|
IC50 |
= |
60.0 |
nM |
549.09 |
CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@H](CSC/C(=N/O)c1ccc(Cl)cc1)C(=O)NO |
Homo sapiens |
CHEMBL655812 |
assay format |
CHEMBL2111687 |
OBDepict
OH
N
H
O
HO
H
N
H
O
H
H
CH
3
H
3
C
CH
3
O
H
2
N
|
IC50 |
= |
70.0 |
nM |
405.5 |
CC(C)(C)[C@H](NC(=O)C(C[C@@H]1CCc2ccccc2C1)[C@H](O)C(=O)NO)C(N)=O |
Homo sapiens |
CHEMBL694791 |
single protein format |
CHEMBL2112477 |
OBDepict
OH
N
H
O
HO
H
N
H
O
H
H
CH
3
H
3
C
CH
3
O
H
2
N
|
IC50 |
= |
70.0 |
nM |
405.5 |
CC(C)(C)[C@H](NC(=O)C(C[C@H]1CCc2ccccc2C1)[C@H](O)C(=O)NO)C(N)=O |
Homo sapiens |
CHEMBL694791 |
single protein format |
CHEMBL116506 |
OBDepict
H
3
C
O
N
S
H
H
HN
O
N
H
O
OH
CH
3
H
3
C
H
N
H
O
H
3
C
|
IC50 |
= |
80.0 |
nM |
542.7 |
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSC/C(=N/OC)c1ccccc1)C(=O)NO |
Homo sapiens |
CHEMBL655812 |
assay format |
CHEMBL110713 |
OBDepict
HO
N
H
O
OH
H
H
N
H
O
H
CH
3
CH
3
H
3
C
O
NH
2
F
|
IC50 |
= |
80.0 |
nM |
419.45 |
CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccc2ccc(F)cc2c1)[C@H](O)C(=O)NO)C(N)=O |
Homo sapiens |
CHEMBL694791 |
single protein format |
CHEMBL324205 |
OBDepict
OH
HN
O
H
H
S
N
H
O
CH
3
H
3
C
H
NH
O
H
3
C
+
N
O
_
O
|
IC50 |
= |
100.0 |
nM |
516.62 |
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1ccc([N+](=O)[O-])cc1)C(=O)NO |
Homo sapiens |
CHEMBL877262 |
assay format |
CHEMBL110546 |
OBDepict
HO
N
H
O
OH
H
H
N
H
O
H
O
NH
2
F
|
IC50 |
= |
100.0 |
nM |
453.47 |
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc2ccc(F)cc2c1)[C@H](O)C(=O)NO |
Homo sapiens |
CHEMBL694791 |
single protein format |
CHEMBL320798 |
OBDepict
OH
HN
O
H
H
S
N
H
O
CH
3
H
3
C
H
NH
O
O
O
H
3
C
H
3
C
|
IC50 |
= |
100.0 |
nM |
529.66 |
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1ccccc1C(=O)OC)C(=O)NO |
Homo sapiens |
CHEMBL655812 |
assay format |
CHEMBL279786 |
OBDepict
CH
3
N
H
O
NH
H
O
H
H
HN
O
S
H
3
C
CH
3
OH
S
|
IC50 |
= |
100.0 |
nM |
477.65 |
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO |
Homo sapiens |
CHEMBL655811 |
assay format |
CHEMBL115046 |
OBDepict
H
3
C
O
N
S
H
H
N
H
O
N
H
O
OH
H
O
H
2
N
|
IC50 |
= |
100.0 |
nM |
562.69 |
CO/N=C(CSC[C@H](C(=O)NO)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1 |
Homo sapiens |
CHEMBL877262 |
assay format |
CHEMBL326555 |
OBDepict
OH
NH
O
H
H
S
HN
O
H
3
C
CH
3
H
O
H
2
N
O
H
2
N
|
IC50 |
= |
100.0 |
nM |
438.55 |
CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@H](CSCC(N)=O)C(=O)NO |
Homo sapiens |
CHEMBL655813 |
assay format |
CHEMBL316550 |
OBDepict
CH
3
N
H
O
NH
H
O
H
HO
H
N
H
O
O
OH
|
IC50 |
= |
100.0 |
nM |
439.47 |
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc2ccccc2o1)[C@H](O)C(=O)NO |
Homo sapiens |
CHEMBL694791 |
single protein format |
CHEMBL116435 |
OBDepict
OH
N
S
H
H
HN
O
N
H
O
OH
H
3
C
CH
3
H
O
H
2
N
|
IC50 |
= |
100.0 |
nM |
514.65 |
CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@H](CSC/C(=N/O)c1ccccc1)C(=O)NO |
Homo sapiens |
CHEMBL655812 |
assay format |
CHEMBL324723 |
OBDepict
SH
H
H
HN
O
NH
O
OH
H
3
C
CH
3
H
O
NH
2
|
IC50 |
= |
130.0 |
nM |
381.5 |
CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@H](CS)C(=O)NO |
Homo sapiens |
CHEMBL655812 |
assay format |
CHEMBL326814 |
OBDepict
HO
N
S
H
H
N
H
O
NH
O
OH
H
O
NH
2
|
IC50 |
= |
130.0 |
nM |
548.67 |
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)[C@H](CSC/C(=NO)c1ccccc1)C(=O)NO |
Homo sapiens |
CHEMBL655812 |
assay format |
CHEMBL113764 |
OBDepict
OH
NH
O
H
H
S
HN
O
S
H
O
H
2
N
|
IC50 |
= |
160.0 |
nM |
497.64 |
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)[C@H](CSc1cccs1)C(=O)NO |
Homo sapiens |
CHEMBL655812 |
assay format |
CHEMBL420077 |
OBDepict
HO
NH
O
H
HN
O
H
N
H
O
|
IC50 |
= |
200.0 |
nM |
451.57 |
O=C(C[C@@H](CC1CCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)NO |
Homo sapiens |
CHEMBL655811 |
assay format |
CHEMBL325608 |
OBDepict
OH
HN
O
H
H
S
N
H
O
H
O
O
H
2
N
|
IC50 |
= |
210.0 |
nM |
533.65 |
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)[C@H](CSCC(=O)c1ccccc1)C(=O)NO |
Homo sapiens |
CHEMBL655812 |
assay format |
CHEMBL108412 |
OBDepict
HO
N
H
O
OH
H
H
N
H
O
H
O
NH
2
F
|
IC50 |
= |
220.0 |
nM |
453.47 |
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc2cc(F)ccc2c1)[C@H](O)C(=O)NO |
Homo sapiens |
CHEMBL694791 |
single protein format |
CHEMBL108737 |
OBDepict
HO
N
H
O
OH
H
H
N
H
O
H
CH
3
CH
3
H
3
C
NH
O
H
3
C
|
IC50 |
= |
230.0 |
nM |
415.49 |
CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)NO)C(C)(C)C |
Homo sapiens |
CHEMBL694791 |
single protein format |
CHEMBL110667 |
OBDepict
HO
N
H
O
OH
H
H
N
H
O
N
S
H
O
H
2
N
|
IC50 |
= |
320.0 |
nM |
442.5 |
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1nc2ccccc2s1)[C@H](O)C(=O)NO |
Homo sapiens |
CHEMBL694791 |
single protein format |
CHEMBL433197 |
OBDepict
CH
3
NH
O
NH
H
O
H
H
N
H
O
S
H
3
C
CH
3
OH
O
|
IC50 |
= |
380.0 |
nM |
589.76 |
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO |
Homo sapiens |
CHEMBL655812 |
assay format |
CHEMBL322138 |
OBDepict
OH
N
H
O
HO
H
H
N
H
O
H
NH
O
CH
3
|
IC50 |
= |
400.0 |
nM |
449.51 |
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)NO |
Homo sapiens |
CHEMBL694791 |
single protein format |
CHEMBL108842 |
OBDepict
OH
N
H
O
HO
H
H
N
H
O
H
O
H
2
N
|
IC50 |
= |
600.0 |
nM |
435.48 |
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)NO |
Homo sapiens |
CHEMBL694791 |
single protein format |
CHEMBL106444 |
OBDepict
HO
N
H
O
OH
H
H
N
H
O
H
O
NH
2
HO
|
IC50 |
= |
760.0 |
nM |
451.48 |
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc2ccc(O)cc2c1)[C@H](O)C(=O)NO |
Homo sapiens |
CHEMBL694791 |
single protein format |
CHEMBL92762 |
OBDepict
OH
HN
O
H
N
H
O
H
HN
O
|
IC50 |
= |
1000.0 |
nM |
509.61 |
O=C(C[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)NO |
Homo sapiens |
CHEMBL694791 |
single protein format |
CHEMBL106233 |
OBDepict
OH
N
H
O
HO
H
H
N
H
O
H
H
3
C
H
3
C
CH
3
O
H
2
N
N
|
IC50 |
= |
1000.0 |
nM |
402.45 |
CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccc2ncccc2c1)[C@H](O)C(=O)NO)C(N)=O |
Homo sapiens |
CHEMBL694791 |
single protein format |
CHEMBL11306 |
OBDepict
H
3
C
NH
O
N
H
H
O
H
NH
O
CH
3
H
3
C
HO
|
IC50 |
= |
1000.0 |
nM |
349.43 |
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)NO)CC(C)C |
Homo sapiens |
CHEMBL655815 |
assay format |
CHEMBL440712 |
OBDepict
OH
HN
O
H
H
S
N
H
O
H
3
C
H
3
C
O
CH
3
H
O
NH
2
|
IC50 |
= |
1000.0 |
nM |
423.54 |
CC(=O)SC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |
Homo sapiens |
CHEMBL655814 |
assay format |