molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4572939 |
|
IC50 |
= |
60.0 |
nM |
377.23 |
Cc1noc(C)c1-c1cc(Cl)c(Nc2ccccc2C(=O)O)c(Cl)c1 |
Homo sapiens |
CHEMBL4418244 |
single protein format |
CHEMBL4448030 |
OBDepict
N
N
N
OH
+
N
HO
O
_
O
|
IC50 |
<= |
250.0 |
nM |
284.23 |
N#C/C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)c1cnccn1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4563060 |
OBDepict
N
N
N
OH
+
N
O
OH
HO
O
_
O
|
IC50 |
<= |
300.0 |
nM |
328.24 |
N#C/C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)c1cnc(C(=O)O)cn1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4532629 |
OBDepict
H
N
N
N
N
NH
Cl
Cl
CH
3
N
H
3
C
O
|
IC50 |
= |
400.0 |
nM |
401.26 |
Cc1noc(C)c1-c1cc(Cl)c(Nc2ccccc2-c2nn[nH]n2)c(Cl)c1 |
Homo sapiens |
CHEMBL4418244 |
single protein format |
CHEMBL4527360 |
OBDepict
N
N
N
OH
+
N
OH
O
_
O
|
IC50 |
<= |
500.0 |
nM |
284.23 |
N#C/C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)c1ccncn1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4567049 |
OBDepict
CH
3
N
O
H
3
C
NH
2
N
OH
+
N
HO
O
_
O
|
IC50 |
<= |
500.0 |
nM |
320.31 |
CCN(CC)C(=O)/C(C#N)=C(N)c1cc(O)c(O)c([N+](=O)[O-])c1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4435468 |
OBDepict
N
OH
N
H
O
N
S
HO
+
N
HO
O
_
O
|
IC50 |
<= |
500.0 |
nM |
348.3 |
N#C/C(C(=O)Nc1nccs1)=C(/O)c1cc(O)c(O)c([N+](=O)[O-])c1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4467308 |
OBDepict
N
OH
N
N
HO
+
N
HO
O
_
O
|
IC50 |
<= |
500.0 |
nM |
300.23 |
N#C/C(=C(/O)c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccncn1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4529597 |
OBDepict
N
OH
N
N
HO
+
N
HO
O
_
O
|
IC50 |
<= |
500.0 |
nM |
300.23 |
N#C/C(=C(/O)c1cc(O)c(O)c([N+](=O)[O-])c1)c1cnccn1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4461072 |
OBDepict
CH
3
N
O
H
3
C
OH
N
OH
+
N
HO
O
_
O
|
IC50 |
<= |
500.0 |
nM |
321.29 |
CCN(CC)C(=O)/C(C#N)=C(O)c1cc(O)c(O)c([N+](=O)[O-])c1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4563024 |
OBDepict
OH
HO
Cl
Cl
N
H
O
OH
|
IC50 |
= |
700.0 |
nM |
390.22 |
O=C(O)c1ccccc1Nc1c(Cl)cc(-c2cc(O)cc(O)c2)cc1Cl |
Homo sapiens |
CHEMBL4418244 |
single protein format |
CHEMBL4590326 |
OBDepict
N
H
2
N
N
O
OH
+
N
OH
O
_
O
|
IC50 |
<= |
750.0 |
nM |
332.32 |
N#C/C(C(=O)N1CCCCC1)=C(/N)c1cc(O)c(O)c([N+](=O)[O-])c1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4458750 |
OBDepict
N
HO
N
O
OH
+
N
OH
O
_
O
|
IC50 |
<= |
750.0 |
nM |
305.25 |
N#C/C(C(=O)N1CCC1)=C(/O)c1cc(O)c(O)c([N+](=O)[O-])c1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4463923 |
OBDepict
N
OH
N
N
HO
+
N
HO
O
_
O
O
OH
|
IC50 |
<= |
750.0 |
nM |
344.24 |
N#C/C(=C(/O)c1cc(O)c(O)c([N+](=O)[O-])c1)c1cnc(C(=O)O)cn1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4569935 |
OBDepict
N
OH
N
HO
+
N
HO
O
_
O
|
IC50 |
<= |
750.0 |
nM |
299.24 |
N#C/C(=C(/O)c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccn1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4474943 |
OBDepict
N
HN
O
N
S
OH
+
N
OH
O
_
O
|
IC50 |
= |
1000.0 |
nM |
332.3 |
N#C/C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)Nc1nccs1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4445539 |
OBDepict
N
S
N
O
OH
OH
+
N
HO
O
_
O
|
IC50 |
< |
1000.0 |
nM |
333.28 |
N#C/C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)c1nc(C(=O)O)cs1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4547872 |
OBDepict
N
N
OH
+
N
OH
O
_
O
|
IC50 |
< |
1000.0 |
nM |
283.24 |
N#C/C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)c1cccnc1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4541729 |
OBDepict
N
N
CH
3
OH
+
N
HO
O
_
O
|
IC50 |
< |
1000.0 |
nM |
297.27 |
Cc1ccc(/C(C#N)=C/c2cc(O)c(O)c([N+](=O)[O-])c2)nc1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4474437 |
OBDepict
N
N
N
OH
+
N
OH
O
_
O
|
IC50 |
< |
1000.0 |
nM |
284.23 |
N#C/C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)c1cccnn1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4447107 |
OBDepict
N
N
+
N
_
O
OH
+
N
OH
O
_
O
|
IC50 |
< |
1000.0 |
nM |
300.23 |
N#C/C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)c1c[n+]([O-])ccn1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4564612 |
OBDepict
OH
HN
O
N
OH
+
N
HO
O
_
O
|
IC50 |
= |
1000.0 |
nM |
265.18 |
N#C/C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)NO |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4558186 |
OBDepict
CH
3
N
H
O
H
2
N
N
OH
+
N
OH
O
_
O
|
IC50 |
= |
1000.0 |
nM |
292.25 |
CCNC(=O)/C(C#N)=C(N)c1cc(O)c(O)c([N+](=O)[O-])c1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4522359 |
OBDepict
N
O
OH
N
S
HO
+
N
HO
O
_
O
|
IC50 |
= |
1000.0 |
nM |
333.28 |
N#C/C(C(=O)c1cscn1)=C(/O)c1cc(O)c(O)c([N+](=O)[O-])c1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4592513 |
OBDepict
N
HO
N
O
OH
+
N
OH
O
_
O
|
IC50 |
= |
1000.0 |
nM |
333.3 |
N#C/C(C(=O)N1CCCCC1)=C(/O)c1cc(O)c(O)c([N+](=O)[O-])c1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4453979 |
OBDepict
N
OH
N
S
OH
+
N
OH
O
_
O
|
IC50 |
= |
1000.0 |
nM |
305.27 |
N#C/C(=C(/O)c1cc(O)c(O)c([N+](=O)[O-])c1)c1nccs1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4464343 |
OBDepict
N
N
O
HO
+
N
HO
O
_
O
|
IC50 |
<= |
1000.0 |
nM |
289.25 |
N#C/C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)N1CCC1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4474241 |
OBDepict
N
OH
N
N
O
+
N
CH
3
OH
O
_
O
|
IC50 |
= |
1000.0 |
nM |
314.26 |
COc1cc(/C(O)=C(C#N)c2cnccn2)cc([N+](=O)[O-])c1O |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4524626 |
OBDepict
N
N
S
N
OH
+
N
HO
O
_
O
|
IC50 |
< |
1000.0 |
nM |
290.26 |
N#C/C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)c1ncns1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4557292 |
OBDepict
N
N
H
O
H
O
OH
OH
HO
+
N
OH
O
_
O
|
IC50 |
= |
1000.0 |
nM |
337.24 |
N#C/C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)N[C@@H](CO)C(=O)O |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4435048 |
OBDepict
N
N
O
O
OH
+
N
OH
O
_
O
|
IC50 |
< |
1000.0 |
nM |
319.27 |
N#C/C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)N1CCCOC1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4459873 |
OBDepict
N
N
H
O
O
HO
+
N
OH
O
_
O
|
IC50 |
< |
1000.0 |
nM |
305.25 |
N#C/C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)NC1COC1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4570495 |
OBDepict
N
NH
O
OH
+
N
HO
O
_
O
|
IC50 |
= |
1000.0 |
nM |
325.28 |
N#C/C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL469803 |
OBDepict
N
NH
O
OH
+
N
Cl
HO
O
_
O
|
IC50 |
= |
1000.0 |
nM |
359.73 |
N#C/C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL525388 |
OBDepict
N
N
O
OH
+
N
OH
O
_
O
|
IC50 |
= |
1000.0 |
nM |
317.3 |
N#C/C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)N1CCCCC1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4476652 |
OBDepict
N
N
O
H
O
HO
OH
+
N
OH
O
_
O
|
IC50 |
= |
1000.0 |
nM |
347.28 |
N#C/C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1C(=O)O |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4531642 |
OBDepict
N
N
S
OH
+
N
HO
O
_
O
|
IC50 |
= |
1000.0 |
nM |
289.27 |
N#C/C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)c1nccs1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4476272 |
OBDepict
N
N
OH
+
N
OH
O
_
O
|
IC50 |
= |
1000.0 |
nM |
283.24 |
N#C/C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccn1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4441097 |
OBDepict
N
N
OH
+
N
OH
O
_
O
|
IC50 |
= |
1000.0 |
nM |
283.24 |
N#C/C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)c1ccncc1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4456378 |
OBDepict
N
HN
O
O
OH
HO
+
N
OH
O
_
O
|
IC50 |
< |
1000.0 |
nM |
307.22 |
N#C/C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)NCC(=O)O |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4440198 |
OBDepict
N
N
N
OH
+
N
OH
O
_
O
|
IC50 |
= |
1000.0 |
nM |
284.23 |
N#C/C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)c1cncnc1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4461985 |
OBDepict
N
OH
N
H
O
N
S
HO
+
N
N
HO
O
_
O
|
IC50 |
< |
1000.0 |
nM |
349.28 |
N#C/C(C(=O)Nc1ncns1)=C(/O)c1cc(O)c(O)c([N+](=O)[O-])c1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4462025 |
OBDepict
N
OH
NH
O
OH
+
N
N
OH
O
_
O
N
|
IC50 |
< |
1000.0 |
nM |
357.28 |
N#C/C(C(=O)NCc1ccncn1)=C(/O)c1cc(O)c(O)c([N+](=O)[O-])c1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4555895 |
OBDepict
N
HO
N
H
O
N
OH
+
N
N
OH
O
_
O
|
IC50 |
< |
1000.0 |
nM |
343.25 |
N#C/C(C(=O)Nc1cnccn1)=C(/O)c1cc(O)c(O)c([N+](=O)[O-])c1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4572182 |
OBDepict
N
NH
O
H
3
C
O
OH
OH
+
N
HO
O
_
O
|
IC50 |
= |
1000.0 |
nM |
321.25 |
CC(NC(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)O |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4442734 |
OBDepict
N
HO
N
H
O
OH
+
N
OH
O
_
O
|
IC50 |
< |
1000.0 |
nM |
305.25 |
N#C/C(C(=O)NC1CC1)=C(/O)c1cc(O)c(O)c([N+](=O)[O-])c1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4463600 |
OBDepict
N
HO
N
O
O
OH
+
N
OH
O
_
O
|
IC50 |
< |
1000.0 |
nM |
335.27 |
N#C/C(C(=O)N1CCCOC1)=C(/O)c1cc(O)c(O)c([N+](=O)[O-])c1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4570960 |
OBDepict
N
NH
2
N
N
HO
+
N
HO
O
_
O
O
OH
|
IC50 |
< |
1000.0 |
nM |
343.26 |
N#C/C(=C(/N)c1cc(O)c(O)c([N+](=O)[O-])c1)c1cnc(C(=O)O)cn1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4438114 |
OBDepict
CH
3
N
O
CH
3
N
H
N
CH
3
OH
+
N
OH
O
_
O
|
IC50 |
= |
1000.0 |
nM |
334.33 |
CCN(CC)C(=O)/C(C#N)=C(NC)c1cc(O)c(O)c([N+](=O)[O-])c1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |
CHEMBL4552801 |
OBDepict
CH
3
N
H
O
HO
N
OH
+
N
OH
O
_
O
|
IC50 |
< |
1000.0 |
nM |
293.24 |
CCNC(=O)/C(C#N)=C(O)c1cc(O)c(O)c([N+](=O)[O-])c1 |
Homo sapiens |
CHEMBL4418739 |
single protein format |