molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4876525 |
|
IC50 |
= |
17.0 |
nM |
398.27 |
CCC[C@@H](NC(=O)c1cnccn1)C(=O)N[C@@H](CCCc1ccccc1)B(O)O |
Homo sapiens |
CHEMBL4823871 |
single protein format |
CHEMBL4856865 |
OBDepict
HO
B
OH
HN
H
O
NH
H
O
N
N
|
IC50 |
= |
18.0 |
nM |
446.32 |
O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCc1ccccc1)B(O)O)c1cnccn1 |
Homo sapiens |
CHEMBL4823871 |
single protein format |
CHEMBL4864108 |
OBDepict
O
HN
N
N
H
N
H
O
B
H
OH
HO
|
IC50 |
= |
34.0 |
nM |
432.29 |
O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)B(O)O)c1cnccn1 |
Homo sapiens |
CHEMBL4823871 |
single protein format |
CHEMBL4877126 |
OBDepict
CH
3
HN
H
N
H
O
O
B
H
N
OH
HO
N
H
3
C
|
IC50 |
= |
38.0 |
nM |
336.2 |
CCCC[C@H](NC(=O)[C@@H](CCC)NC(=O)c1cnccn1)B(O)O |
Homo sapiens |
CHEMBL4823871 |
single protein format |
CHEMBL4870013 |
OBDepict
CH
3
N
H
H
N
H
O
O
B
H
O
HO
OH
CH
3
N
H
3
C
|
IC50 |
= |
59.0 |
nM |
415.3 |
CCC[C@@H](NC(=O)c1oc(C)nc1C)C(=O)N[C@@H](CCCc1ccccc1)B(O)O |
Homo sapiens |
CHEMBL4823871 |
single protein format |
CHEMBL4862424 |
OBDepict
H
3
C
CH
3
B
HN
H
HO
HO
O
N
H
H
O
N
N
|
IC50 |
= |
65.0 |
nM |
412.3 |
CC(C)CCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |
Homo sapiens |
CHEMBL4823871 |
single protein format |
CHEMBL4870902 |
OBDepict
Br
B
HN
H
HO
HO
O
N
H
H
O
N
N
|
IC50 |
= |
77.0 |
nM |
477.17 |
O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCCBr)B(O)O)c1cnccn1 |
Homo sapiens |
CHEMBL4823871 |
single protein format |
CHEMBL4876920 |
OBDepict
CH
3
NH
H
N
H
O
O
B
H
N
HO
OH
N
|
IC50 |
= |
92.0 |
nM |
384.25 |
CCC[C@@H](NC(=O)c1cnccn1)C(=O)N[C@@H](CCc1ccccc1)B(O)O |
Homo sapiens |
CHEMBL4823871 |
single protein format |
CHEMBL4850612 |
OBDepict
O
HN
NH
H
B
H
O
HO
OH
N
N
|
IC50 |
= |
92.0 |
nM |
424.31 |
O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)B(O)O)c1cnccn1 |
Homo sapiens |
CHEMBL4823871 |
single protein format |
CHEMBL4856768 |
OBDepict
H
3
C
HN
H
N
H
O
O
B
H
N
OH
HO
N
CH
3
H
3
C
|
IC50 |
= |
93.0 |
nM |
350.23 |
CCCC[C@@H](NC(=O)c1cnccn1)C(=O)N[C@@H](CC(C)C)B(O)O |
Homo sapiens |
CHEMBL4823871 |
single protein format |
CHEMBL4847335 |
OBDepict
O
HN
NH
H
B
H
O
HO
OH
N
N
|
IC50 |
= |
109.0 |
nM |
418.26 |
O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)B(O)O)c1cnccn1 |
Homo sapiens |
CHEMBL4823871 |
single protein format |
CHEMBL4863384 |
OBDepict
CH
3
HN
H
N
H
O
O
B
H
N
OH
HO
N
|
IC50 |
= |
136.0 |
nM |
376.27 |
CCC[C@@H](NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)B(O)O |
Homo sapiens |
CHEMBL4823871 |
single protein format |
CHEMBL4847763 |
OBDepict
OH
B
OH
NH
H
O
CH
3
H
3
C
N
H
H
O
N
N
|
IC50 |
= |
137.0 |
nM |
390.29 |
CC(C)C[C@H](NC(=O)[C@@H](CC1CCCCC1)NC(=O)c1cnccn1)B(O)O |
Homo sapiens |
CHEMBL4823871 |
single protein format |
CHEMBL325041 |
OBDepict
H
3
C
CH
3
B
NH
H
OH
OH
O
N
H
H
O
N
N
|
IC50 |
= |
183.0 |
nM |
384.25 |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |
Homo sapiens |
CHEMBL4823871 |
single protein format |
CHEMBL4861871 |
OBDepict
CH
3
N
H
H
N
H
O
O
B
H
N
OH
HO
N
H
3
C
CH
3
|
IC50 |
= |
187.0 |
nM |
336.2 |
CCC[C@@H](NC(=O)c1cnccn1)C(=O)N[C@@H](CC(C)C)B(O)O |
Homo sapiens |
CHEMBL4823871 |
single protein format |
CHEMBL4858320 |
OBDepict
H
3
C
CH
3
B
NH
H
OH
OH
O
N
H
H
O
N
N
|
IC50 |
= |
253.0 |
nM |
384.25 |
CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |
Homo sapiens |
CHEMBL4823871 |
single protein format |
CHEMBL4853599 |
OBDepict
H
3
C
NH
H
N
H
O
O
B
H
N
HO
OH
N
CH
3
H
3
C
|
IC50 |
= |
408.0 |
nM |
322.17 |
CC[C@@H](NC(=O)c1cnccn1)C(=O)N[C@@H](CC(C)C)B(O)O |
Homo sapiens |
CHEMBL4823871 |
single protein format |
CHEMBL4864045 |
OBDepict
HO
B
OH
HN
H
O
CH
3
CH
3
N
H
CH
3
H
O
N
N
|
IC50 |
= |
433.0 |
nM |
308.15 |
CC(C)C[C@H](NC(=O)[C@@H](C)NC(=O)c1cnccn1)B(O)O |
Homo sapiens |
CHEMBL4823871 |
single protein format |
CHEMBL4859172 |
OBDepict
HO
B
OH
N
H
H
O
H
3
C
CH
3
N
H
H
CH
3
H
3
C
O
N
N
|
IC50 |
= |
546.0 |
nM |
336.2 |
CC(C)C[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)B(O)O |
Homo sapiens |
CHEMBL4823871 |
single protein format |
CHEMBL4850826 |
OBDepict
CH
3
HN
H
N
H
O
O
B
H
N
OH
HO
N
|
IC50 |
= |
556.0 |
nM |
370.22 |
CCC[C@@H](NC(=O)c1cnccn1)C(=O)N[C@@H](Cc1ccccc1)B(O)O |
Homo sapiens |
CHEMBL4823871 |
single protein format |