molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3593932 |
|
Ki |
= |
2.1 |
nM |
444.46 |
O=C1/C(=CC=Cc2ccc([N+](=O)[O-])cc2)c2ccccc2N1Cc1ccc(OCCF)cc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL3593930 |
OBDepict
CH
3
O
O
CH
3
N
O
+
N
O
_
O
|
Ki |
= |
3.5 |
nM |
442.47 |
COc1ccc(CN2C(=O)/C(=CC=Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1OC |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL3593928 |
OBDepict
H
3
C
O
N
O
+
N
O
_
O
|
Ki |
= |
3.8 |
nM |
412.45 |
COc1cccc(CN2C(=O)/C(=CC=Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)c1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL3593911 |
OBDepict
CH
3
N
CH
3
O
N
+
N
O
_
O
|
Ki |
= |
4.2 |
nM |
425.49 |
CN(C)c1ccc(/C=C/C=C2C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL3593904 |
OBDepict
O
N
H
N
N
CH
3
H
3
C
|
Ki |
= |
11.5 |
nM |
291.35 |
CN(C)c1ccc(/C=C/C=C2C(=O)Nc3ncccc32)cc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL3593926 |
OBDepict
CH
3
O
N
O
+
N
O
_
O
|
Ki |
= |
12.9 |
nM |
412.45 |
COc1ccc(CN2C(=O)/C(=CC=Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL3593922 |
OBDepict
O
N
H
+
N
O
_
O
|
Ki |
= |
14.6 |
nM |
292.29 |
O=C1Nc2ccccc2/C1=C/C=C/c1ccc([N+](=O)[O-])cc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL3593924 |
OBDepict
O
N
+
N
O
_
O
|
Ki |
= |
25.0 |
nM |
382.42 |
O=C1/C(=CC=Cc2ccc([N+](=O)[O-])cc2)c2ccccc2N1Cc1ccccc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL3593915 |
OBDepict
CH
3
O
N
N
O
N
CH
3
CH
3
|
Ki |
= |
29.8 |
nM |
411.51 |
COc1ccc(CN2C(=O)/C(=CC=Cc3ccc(N(C)C)cc3)c3cccnc32)cc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL2063787 |
OBDepict
CH
3
O
S
N
H
+
N
O
_
O
|
Ki |
= |
32.1 |
nM |
274.3 |
COc1ccc2c(c1)Sc1cc([N+](=O)[O-])ccc1N2 |
Homo sapiens |
CHEMBL2065090 |
cell-based format |
CHEMBL3593903 |
OBDepict
O
N
H
N
CH
3
H
3
C
|
Ki |
= |
40.7 |
nM |
290.37 |
CN(C)c1ccc(/C=C/C=C2C(=O)Nc3ccccc32)cc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL3593909 |
OBDepict
CH
3
N
CH
3
O
N
|
Ki |
= |
40.9 |
nM |
380.49 |
CN(C)c1ccc(/C=C/C=C2C(=O)N(Cc3ccccc3)c3ccccc32)cc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL3593916 |
OBDepict
NH
2
N
O
N
CH
3
H
3
C
|
Ki |
= |
43.6 |
nM |
395.51 |
CN(C)c1ccc(/C=C/C=C2C(=O)N(Cc3ccc(N)cc3)c3ccccc32)cc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL3593918 |
OBDepict
H
2
N
O
NH
|
Ki |
= |
44.8 |
nM |
262.31 |
Nc1ccc(/C=C/C=C2C(=O)Nc3ccccc32)cc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL3593913 |
OBDepict
H
3
C
O
N
O
O
N
CH
3
CH
3
|
Ki |
= |
45.3 |
nM |
362.43 |
CCOC(=O)N1C(=O)/C(=CC=Cc2ccc(N(C)C)cc2)c2ccccc21 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL2063797 |
OBDepict
F
O
S
N
H
+
N
O
_
O
|
Ki |
= |
49.0 |
nM |
306.32 |
O=[N+]([O-])c1ccc2c(c1)Sc1cc(OCCF)ccc1N2 |
Homo sapiens |
CHEMBL2065090 |
cell-based format |
CHEMBL3593931 |
OBDepict
CH
3
O
O
CH
3
N
O
+
N
O
_
O
|
Ki |
= |
53.3 |
nM |
442.47 |
COc1ccc(CN2C(=O)/C(=C/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1OC |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL3593905 |
OBDepict
HO
NH
O
N
H
3
C
H
3
C
|
Ki |
= |
54.0 |
nM |
306.37 |
CN(C)c1ccc(/C=C/C=C2C(=O)Nc3ccc(O)cc32)cc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL3593910 |
OBDepict
CH
3
O
N
O
N
CH
3
CH
3
|
Ki |
= |
54.6 |
nM |
410.52 |
COc1ccc(CN2C(=O)/C(=CC=Cc3ccc(N(C)C)cc3)c3ccccc32)cc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL2063798 |
OBDepict
I
O
S
N
H
+
N
O
_
O
|
Ki |
= |
57.9 |
nM |
426.24 |
O=[N+]([O-])c1ccc2c(c1)Sc1cc(OC/C=C/I)ccc1N2 |
Homo sapiens |
CHEMBL2065090 |
cell-based format |
CHEMBL3593902 |
OBDepict
H
3
C
O
O
NH
|
Ki |
= |
61.1 |
nM |
277.32 |
COc1ccc(/C=C/C=C2C(=O)Nc3ccccc32)cc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL3593908 |
OBDepict
O
N
CH
3
N
CH
3
H
3
C
|
Ki |
= |
63.7 |
nM |
304.39 |
CN(C)c1ccc(/C=C/C=C2C(=O)N(C)c3ccccc32)cc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL3593929 |
OBDepict
H
3
C
O
N
O
+
N
O
_
O
|
Ki |
= |
64.7 |
nM |
412.45 |
COc1cccc(CN2C(=O)/C(=C/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc32)c1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL3593917 |
OBDepict
H
3
C
N
H
3
C
O
N
|
Ki |
= |
68.1 |
nM |
366.46 |
CN(C)c1ccc(/C=C/C=C2C(=O)N(c3ccccc3)c3ccccc32)cc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL3593914 |
OBDepict
O
N
N
N
CH
3
H
3
C
|
Ki |
= |
68.3 |
nM |
381.48 |
CN(C)c1ccc(/C=C/C=C2C(=O)N(Cc3ccccc3)c3ncccc32)cc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL3593907 |
OBDepict
CH
3
O
O
N
|
Ki |
= |
72.5 |
nM |
367.45 |
COc1ccc(/C=C/C=C2C(=O)N(Cc3ccccc3)c3ccccc32)cc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL2063788 |
OBDepict
Br
S
N
H
+
N
O
_
O
|
Ki |
= |
75.3 |
nM |
323.17 |
O=[N+]([O-])c1ccc2c(c1)Sc1cc(Br)ccc1N2 |
Homo sapiens |
CHEMBL2065090 |
cell-based format |
CHEMBL3593933 |
OBDepict
F
O
N
O
+
N
O
_
O
|
Ki |
= |
76.1 |
nM |
444.46 |
O=C1/C(=C/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2N1Cc1ccc(OCCF)cc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL3593900 |
OBDepict
H
3
C
O
N
N
O
N
CH
3
H
3
C
|
Ki |
= |
79.5 |
nM |
385.47 |
COc1ccc(CN2C(=O)/C(=Cc3ccc(N(C)C)cc3)c3cccnc32)cc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL3593927 |
OBDepict
CH
3
O
N
O
+
N
O
_
O
|
Ki |
= |
81.9 |
nM |
412.45 |
COc1ccc(CN2C(=O)/C(=C/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL328710 |
OBDepict
O
N
H
N
H
3
C
CH
3
|
Ki |
= |
84.4 |
nM |
264.33 |
CN(C)c1ccc(/C=C2C(=O)Nc3ccccc32)cc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL3593912 |
OBDepict
H
3
C
N
H
3
C
O
N
N
|
Ki |
= |
92.0 |
nM |
367.45 |
CN(C)c1ccc(/C=C/C=C2C(=O)N(c3ccncc3)c3ccccc32)cc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL3663947 |
OBDepict
OH
OH
S
HO
HO
|
Ki |
= |
105.0 |
nM |
300.34 |
Oc1ccc(-c2ccc(-c3ccc(O)c(O)c3)s2)cc1O |
Homo sapiens |
CHEMBL3705898 |
single protein format |
CHEMBL2063789 |
OBDepict
I
S
N
H
+
N
O
_
O
|
Ki |
= |
106.0 |
nM |
370.17 |
O=[N+]([O-])c1ccc2c(c1)Sc1cc(I)ccc1N2 |
Homo sapiens |
CHEMBL2065090 |
cell-based format |
CHEMBL3593896 |
OBDepict
CH
3
O
N
O
N
CH
3
CH
3
|
Ki |
= |
114.5 |
nM |
384.48 |
COc1ccc(CN2C(=O)/C(=Cc3ccc(N(C)C)cc3)c3ccccc32)cc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL1976750 |
OBDepict
_
O
+
N
O
S
N
H
|
Ki |
= |
116.5 |
nM |
244.28 |
O=[N+]([O-])c1ccc2c(c1)Sc1ccccc1N2 |
Homo sapiens |
CHEMBL2065090 |
cell-based format |
CHEMBL2063785 |
OBDepict
CH
3
O
S
N
H
O
H
3
C
|
Ki |
= |
121.8 |
nM |
259.33 |
COc1ccc2c(c1)Sc1cc(OC)ccc1N2 |
Homo sapiens |
CHEMBL2065090 |
cell-based format |
CHEMBL3663941 |
OBDepict
OH
OH
N
N
S
HO
HO
|
Ki |
= |
124.0 |
nM |
302.31 |
Oc1ccc(-c2nsc(-c3ccc(O)c(O)c3)n2)cc1O |
Homo sapiens |
CHEMBL3705898 |
single protein format |
CHEMBL3593893 |
OBDepict
O
N
H
N
N
H
3
C
CH
3
|
Ki |
= |
124.3 |
nM |
265.32 |
CN(C)c1ccc(/C=C2C(=O)Nc3ncccc32)cc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL2063787 |
OBDepict
CH
3
O
S
N
H
+
N
O
_
O
|
IC50 |
= |
133.7 |
nM |
274.3 |
COc1ccc2c(c1)Sc1cc([N+](=O)[O-])ccc1N2 |
Homo sapiens |
CHEMBL2065090 |
cell-based format |
CHEMBL3663950 |
OBDepict
Br
HO
N
S
HO
N
OH
OH
|
Ki |
= |
135.0 |
nM |
381.21 |
Oc1ccc(-c2nnc(-c3cc(O)c(O)cc3Br)s2)cc1O |
Homo sapiens |
CHEMBL3705898 |
single protein format |
CHEMBL3593895 |
OBDepict
CH
3
N
CH
3
O
N
|
Ki |
= |
144.4 |
nM |
354.45 |
CN(C)c1ccc(/C=C2C(=O)N(Cc3ccccc3)c3ccccc32)cc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL3593897 |
OBDepict
CH
3
N
CH
3
O
N
N
|
Ki |
= |
149.8 |
nM |
341.41 |
CN(C)c1ccc(/C=C2C(=O)N(c3ccncc3)c3ccccc32)cc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL3663958 |
OBDepict
Br
HO
N
S
HO
OH
OH
|
Ki |
= |
177.0 |
nM |
380.22 |
Oc1ccc(-c2cnc(-c3cc(O)c(O)cc3Br)s2)cc1O |
Homo sapiens |
CHEMBL3705898 |
single protein format |
CHEMBL986 |
OBDepict
OH
CH
3
CH
3
CH
3
H
3
C
H
3
C
|
IC50 |
= |
190.0 |
nM |
286.46 |
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1 |
Homo sapiens |
CHEMBL4700552 |
single protein format |
CHEMBL81379 |
OBDepict
O
CH
3
CH
3
CH
3
H
3
C
H
3
C
|
IC50 |
= |
190.0 |
nM |
284.44 |
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CCC1 |
Homo sapiens |
CHEMBL4700552 |
single protein format |
CHEMBL3593925 |
OBDepict
O
N
+
N
O
_
O
|
Ki |
= |
192.7 |
nM |
382.42 |
O=C1/C(=C/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2N1Cc1ccccc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL2063797 |
OBDepict
F
O
S
N
H
+
N
O
_
O
|
IC50 |
= |
203.9 |
nM |
306.32 |
O=[N+]([O-])c1ccc2c(c1)Sc1cc(OCCF)ccc1N2 |
Homo sapiens |
CHEMBL2065090 |
cell-based format |
CHEMBL3593901 |
OBDepict
O
N
H
|
Ki |
= |
206.7 |
nM |
247.3 |
O=C1Nc2ccccc2/C1=C/C=C/c1ccccc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL324842 |
OBDepict
O
O
H
O
HO
HO
HO
OH
OH
|
IC50 |
= |
210.0 |
nM |
360.32 |
O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O |
Homo sapiens |
CHEMBL4700552 |
single protein format |
CHEMBL52 |
OBDepict
CH
3
CH
3
HO
HO
HO
OH
|
IC50 |
= |
210.0 |
nM |
302.37 |
CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1 |
Homo sapiens |
CHEMBL4700550 |
single protein format |
CHEMBL3593923 |
OBDepict
O
N
H
+
N
O
_
O
|
Ki |
= |
211.4 |
nM |
292.29 |
O=C1Nc2ccccc2/C1=CC=Cc1ccc([N+](=O)[O-])cc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL3663956 |
OBDepict
CH
3
O
OH
N
S
N
I
HO
HO
|
Ki |
= |
219.0 |
nM |
442.23 |
COc1cc(-c2nnc(-c3cc(O)c(O)cc3I)s2)ccc1O |
Homo sapiens |
CHEMBL3705898 |
single protein format |
CHEMBL164 |
OBDepict
OH
OH
O
O
HO
HO
OH
HO
|
IC50 |
= |
220.0 |
nM |
318.24 |
O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12 |
Homo sapiens |
CHEMBL4700552 |
single protein format |
CHEMBL140 |
OBDepict
CH
3
O
OH
O
O
O
HO
H
3
C
|
IC50 |
= |
220.0 |
nM |
368.39 |
COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O |
Homo sapiens |
CHEMBL4700552 |
single protein format |
CHEMBL3663940 |
OBDepict
Br
HO
S
HO
N
OH
OH
|
Ki |
= |
224.0 |
nM |
380.22 |
Oc1ccc(-c2ncc(-c3cc(O)c(O)cc3Br)s2)cc1O |
Homo sapiens |
CHEMBL3705898 |
single protein format |
CHEMBL3593906 |
OBDepict
O
N
|
Ki |
= |
226.9 |
nM |
337.42 |
O=C1/C(=CC=Cc2ccccc2)c2ccccc2N1Cc1ccccc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL2063798 |
OBDepict
I
O
S
N
H
+
N
O
_
O
|
IC50 |
= |
241.3 |
nM |
426.24 |
O=[N+]([O-])c1ccc2c(c1)Sc1cc(OC/C=C/I)ccc1N2 |
Homo sapiens |
CHEMBL2065090 |
cell-based format |
CHEMBL4787961 |
OBDepict
CH
3
H
3
C
H
3
C
H
3
C
H
3
C
CH
3
H
3
C
H
3
C
|
IC50 |
= |
250.0 |
nM |
508.83 |
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)CCCC1 |
Homo sapiens |
CHEMBL4700552 |
single protein format |
CHEMBL972 |
OBDepict
H
N
H
3
C
H
3
C
CH
|
IC50 |
= |
270.0 |
nM |
187.29 |
C#CCN(C)[C@H](C)Cc1ccccc1 |
Homo sapiens |
CHEMBL4700553 |
single protein format |
CHEMBL3663955 |
OBDepict
OH
OH
N
S
N
HO
HO
|
Ki |
= |
270.0 |
nM |
302.31 |
Oc1ccc(-c2nnc(-c3ccc(O)c(O)c3)s2)cc1O |
Homo sapiens |
CHEMBL3705898 |
single protein format |
CHEMBL3663942 |
OBDepict
OH
OH
S
HO
HO
HO
|
Ki |
= |
283.0 |
nM |
316.33 |
Oc1ccc(-c2ccc(-c3cc(O)c(O)c(O)c3)s2)cc1O |
Homo sapiens |
CHEMBL3705898 |
single protein format |
CHEMBL3593252 |
OBDepict
CH
3
N
CH
3
O
N
|
Ki |
= |
290.2 |
nM |
340.43 |
CN(C)c1ccc(/C=C2C(=O)N(c3ccccc3)c3ccccc32)cc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL2063788 |
OBDepict
Br
S
N
H
+
N
O
_
O
|
IC50 |
= |
313.8 |
nM |
323.17 |
O=[N+]([O-])c1ccc2c(c1)Sc1cc(Br)ccc1N2 |
Homo sapiens |
CHEMBL2065090 |
cell-based format |
CHEMBL3663959 |
OBDepict
CH
3
O
O
O
N
S
O
H
3
C
N
I
O
O
O
H
3
C
O
CH
3
|
Ki |
= |
330.0 |
nM |
596.36 |
CC(=O)Oc1ccc(-c2nnc(-c3cc(OC(C)=O)c(OC(C)=O)cc3I)s2)cc1OC(C)=O |
Homo sapiens |
CHEMBL3705898 |
single protein format |
CHEMBL3663957 |
OBDepict
OH
OH
S
HO
I
HO
|
Ki |
= |
330.0 |
nM |
426.23 |
Oc1ccc(-c2ccc(-c3cc(O)c(O)c(I)c3)s2)cc1O |
Homo sapiens |
CHEMBL3705898 |
single protein format |
CHEMBL3593898 |
OBDepict
CH
3
O
N
O
O
N
H
3
C
CH
3
|
Ki |
= |
342.6 |
nM |
336.39 |
CCOC(=O)N1C(=O)/C(=Cc2ccc(N(C)C)cc2)c2ccccc21 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL2063786 |
OBDepict
CH
3
O
S
N
H
N
|
Ki |
= |
346.0 |
nM |
254.31 |
COc1ccc2c(c1)Sc1cc(C#N)ccc1N2 |
Homo sapiens |
CHEMBL2065090 |
cell-based format |
CHEMBL201986 |
OBDepict
O
N
H
+
N
O
_
O
|
Ki |
= |
347.2 |
nM |
266.26 |
O=C1Nc2ccccc2/C1=C/c1ccc([N+](=O)[O-])cc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL3593899 |
OBDepict
O
N
N
N
CH
3
CH
3
|
Ki |
= |
350.2 |
nM |
355.44 |
CN(C)c1ccc(/C=C2C(=O)N(Cc3ccccc3)c3ncccc32)cc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL3663946 |
OBDepict
OH
HO
N
O
HO
N
OH
OH
|
Ki |
= |
370.0 |
nM |
302.24 |
Oc1ccc(-c2nnc(-c3cc(O)c(O)cc3O)o2)cc1O |
Homo sapiens |
CHEMBL3705898 |
single protein format |
CHEMBL3593894 |
OBDepict
OH
N
H
O
N
H
3
C
CH
3
|
Ki |
= |
407.1 |
nM |
280.33 |
CN(C)c1ccc(/C=C2C(=O)Nc3ccc(O)cc32)cc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL2063789 |
OBDepict
I
S
N
H
+
N
O
_
O
|
IC50 |
= |
441.5 |
nM |
370.17 |
O=[N+]([O-])c1ccc2c(c1)Sc1cc(I)ccc1N2 |
Homo sapiens |
CHEMBL2065090 |
cell-based format |
CHEMBL3663951 |
OBDepict
OH
OH
N
O
N
HO
HO
|
Ki |
= |
466.0 |
nM |
286.24 |
Oc1ccc(-c2nnc(-c3ccc(O)c(O)c3)o2)cc1O |
Homo sapiens |
CHEMBL3705898 |
single protein format |
CHEMBL3593920 |
OBDepict
O
N
+
N
O
_
O
|
Ki |
= |
482.9 |
nM |
356.38 |
O=C1/C(=Cc2ccc([N+](=O)[O-])cc2)c2ccccc2N1Cc1ccccc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL1976750 |
OBDepict
_
O
+
N
O
S
N
H
|
IC50 |
= |
485.0 |
nM |
244.28 |
O=[N+]([O-])c1ccc2c(c1)Sc1ccccc1N2 |
Homo sapiens |
CHEMBL2065090 |
cell-based format |
CHEMBL3663949 |
OBDepict
Br
S
OH
OH
|
Ki |
= |
506.0 |
nM |
271.13 |
Oc1ccc(-c2ccc(Br)s2)cc1O |
Homo sapiens |
CHEMBL3705898 |
single protein format |
CHEMBL2063785 |
OBDepict
CH
3
O
S
N
H
O
H
3
C
|
IC50 |
= |
507.1 |
nM |
259.33 |
COc1ccc2c(c1)Sc1cc(OC)ccc1N2 |
Homo sapiens |
CHEMBL2065090 |
cell-based format |
CHEMBL86921 |
OBDepict
O
N
H
3
C
N
CH
3
CH
3
|
Ki |
= |
507.6 |
nM |
278.36 |
CN(C)c1ccc(/C=C2C(=O)N(C)c3ccccc32)cc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL59 |
OBDepict
H
2
N
OH
OH
|
IC50 |
= |
530.0 |
nM |
153.18 |
NCCc1ccc(O)c(O)c1 |
Homo sapiens |
CHEMBL4700553 |
single protein format |
CHEMBL3593919 |
OBDepict
O
N
H
+
N
O
_
O
|
Ki |
= |
621.8 |
nM |
266.26 |
O=C1Nc2ccccc2/C1=Cc1ccc([N+](=O)[O-])cc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL3663960 |
OBDepict
Br
HO
N
O
HO
OH
OH
|
Ki |
= |
639.0 |
nM |
364.15 |
Oc1ccc(-c2cnc(-c3cc(O)c(O)cc3Br)o2)cc1O |
Homo sapiens |
CHEMBL3705898 |
single protein format |
CHEMBL3663954 |
OBDepict
OH
OH
O
N
HO
HO
|
Ki |
= |
659.0 |
nM |
285.25 |
Oc1ccc(-c2cnc(-c3ccc(O)c(O)c3)o2)cc1O |
Homo sapiens |
CHEMBL3705898 |
single protein format |
CHEMBL3663952 |
OBDepict
OH
OH
N
N
N
HO
HO
|
Ki |
= |
697.0 |
nM |
285.26 |
Oc1ccc(-c2cn(-c3ccc(O)c(O)c3)nn2)cc1O |
Homo sapiens |
CHEMBL3705898 |
single protein format |
CHEMBL3663938 |
OBDepict
Br
S
HO
OH
HO
OH
|
Ki |
= |
697.0 |
nM |
379.23 |
Oc1ccc(-c2cc(Br)c(-c3ccc(O)c(O)c3)s2)cc1O |
Homo sapiens |
CHEMBL3705898 |
single protein format |
CHEMBL32749 |
OBDepict
CH
3
O
OH
O
OH
|
IC50 |
= |
750.0 |
nM |
194.19 |
COc1cc(/C=C/C(=O)O)ccc1O |
Homo sapiens |
CHEMBL4700552 |
single protein format |
CHEMBL3663953 |
OBDepict
Br
S
N
OH
OH
|
Ki |
= |
765.0 |
nM |
272.12 |
Oc1ccc(-c2ncc(Br)s2)cc1O |
Homo sapiens |
CHEMBL3705898 |
single protein format |
CHEMBL583912 |
OBDepict
OH
O
OH
H
H
HO
HO
HO
|
IC50 |
= |
800.0 |
nM |
290.27 |
Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2 |
Homo sapiens |
CHEMBL4700552 |
single protein format |
CHEMBL3663944 |
OBDepict
O
N
H
Br
OH
OH
HO
HO
|
Ki |
= |
813.0 |
nM |
340.13 |
O=C(Nc1ccc(O)c(O)c1)c1cc(O)c(O)cc1Br |
Homo sapiens |
CHEMBL3705898 |
single protein format |
CHEMBL3663964 |
OBDepict
O
OH
OH
Br
HO
HO
|
Ki |
= |
890.0 |
nM |
351.15 |
O=C(/C=C/c1cc(O)c(O)cc1Br)c1ccc(O)c(O)c1 |
Homo sapiens |
CHEMBL3705898 |
single protein format |
CHEMBL3593921 |
OBDepict
O
N
+
N
O
_
O
|
Ki |
= |
959.3 |
nM |
356.38 |
O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2N1Cc1ccccc1 |
Homo sapiens |
CHEMBL3594881 |
assay format |
CHEMBL3663961 |
OBDepict
OH
OH
+
N
O
_
O
+
N
OH
O
_
O
HO
|
Ki |
= |
970.0 |
nM |
322.23 |
O=[N+]([O-])c1cc(O)c(O)cc1Cc1cc(O)c(O)cc1[N+](=O)[O-] |
Homo sapiens |
CHEMBL3705898 |
single protein format |
CHEMBL4641523 |
OBDepict
OH
N
H
O
N
H
O
HO
OH
OH
|
IC50 |
= |
980.0 |
nM |
380.36 |
O=C(Nc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL4625545 |
single protein format |