molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4091152 |
|
Ki |
= |
0.05 |
nM |
346.77 |
C[C@@H](Oc1cc2onc(CCC(=O)O)c2cc1Cl)c1ccccn1 |
Homo sapiens |
CHEMBL4051483 |
assay format |
CHEMBL4070212 |
OBDepict
HO
O
N
O
O
Cl
O
CH
3
H
N
|
Ki |
= |
0.1 |
nM |
362.77 |
C[C@@H](Oc1cc2oc(=O)n(CCC(=O)O)c2cc1Cl)c1ccccn1 |
Homo sapiens |
CHEMBL4051431 |
assay format |
CHEMBL3931822 |
OBDepict
OH
O
N
N
F
Cl
|
IC50 |
= |
0.2 |
nM |
252.63 |
O=C(O)c1nccc(-c2cccc(Cl)c2F)n1 |
Homo sapiens |
CHEMBL3871819 |
single protein format |
CHEMBL3407905 |
OBDepict
OH
O
N
N
F
F
|
IC50 |
= |
0.2 |
nM |
236.18 |
O=C(O)c1cc(-c2ccc(F)c(F)c2)ncn1 |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL3407904 |
OBDepict
OH
O
N
N
F
Cl
|
IC50 |
= |
0.2 |
nM |
252.63 |
O=C(O)c1cc(-c2cccc(Cl)c2F)ncn1 |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL3903832 |
OBDepict
OH
O
N
N
F
F
|
IC50 |
= |
0.2 |
nM |
236.18 |
O=C(O)c1nccc(-c2ccc(F)c(F)c2)n1 |
Homo sapiens |
CHEMBL3871819 |
single protein format |
CHEMBL3407901 |
OBDepict
F
N
N
O
OH
|
IC50 |
= |
0.3 |
nM |
218.19 |
O=C(O)c1cc(-c2cccc(F)c2)ncn1 |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL3894894 |
OBDepict
OH
O
N
N
F
Cl
|
IC50 |
= |
0.3 |
nM |
252.63 |
O=C(O)c1nccc(-c2ccc(Cl)c(F)c2)n1 |
Homo sapiens |
CHEMBL3871819 |
single protein format |
CHEMBL3407903 |
OBDepict
OH
O
N
N
F
Cl
|
IC50 |
= |
0.3 |
nM |
252.63 |
O=C(O)c1cc(-c2ccc(Cl)c(F)c2)ncn1 |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL3921825 |
OBDepict
F
N
N
O
OH
|
IC50 |
= |
0.3 |
nM |
218.19 |
O=C(O)c1nccc(-c2cccc(F)c2)n1 |
Homo sapiens |
CHEMBL3871819 |
single protein format |
CHEMBL3960765 |
OBDepict
Cl
O
N
N
O
HO
|
IC50 |
= |
0.5 |
nM |
290.71 |
O=C(O)c1nccc(-c2ccc(OC3CC3)c(Cl)c2)n1 |
Homo sapiens |
CHEMBL3871819 |
single protein format |
CHEMBL4740126 |
OBDepict
Cl
O
N
N
O
OH
|
IC50 |
= |
0.5 |
nM |
290.71 |
O=C(O)c1cc(-c2ccc(Cl)c(OC3CC3)c2)ncn1 |
Homo sapiens |
CHEMBL4679422 |
single protein format |
CHEMBL3407865 |
OBDepict
Cl
N
N
O
OH
|
IC50 |
= |
0.5 |
nM |
234.64 |
O=C(O)c1cc(-c2cccc(Cl)c2)ncn1 |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL3407922 |
OBDepict
Cl
O
N
N
O
HO
|
IC50 |
= |
0.5 |
nM |
290.71 |
O=C(O)c1cc(-c2ccc(OC3CC3)c(Cl)c2)ncn1 |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL3407866 |
OBDepict
OH
O
N
N
Cl
Cl
|
IC50 |
= |
0.6 |
nM |
269.09 |
O=C(O)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1 |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL3949189 |
OBDepict
HO
O
N
N
Cl
CH
3
|
IC50 |
= |
0.7 |
nM |
248.67 |
Cc1ccc(-c2ccnc(C(=O)O)n2)cc1Cl |
Homo sapiens |
CHEMBL3871819 |
single protein format |
CHEMBL3407913 |
OBDepict
HO
O
N
N
Cl
CH
3
|
IC50 |
= |
0.7 |
nM |
248.67 |
Cc1ccc(-c2cc(C(=O)O)ncn2)cc1Cl |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL3930333 |
OBDepict
HO
O
N
N
F
CH
3
|
IC50 |
= |
0.9 |
nM |
232.21 |
Cc1ccc(-c2ccnc(C(=O)O)n2)cc1F |
Homo sapiens |
CHEMBL3871819 |
single protein format |
CHEMBL3407914 |
OBDepict
HO
O
N
N
F
CH
3
|
IC50 |
= |
0.9 |
nM |
232.21 |
Cc1ccc(-c2cc(C(=O)O)ncn2)cc1F |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL3407902 |
OBDepict
OH
O
N
N
Cl
F
|
IC50 |
= |
0.9 |
nM |
252.63 |
O=C(O)c1cc(-c2ccc(F)c(Cl)c2)ncn1 |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL3922876 |
OBDepict
OH
O
N
N
Cl
F
|
IC50 |
= |
0.9 |
nM |
252.63 |
O=C(O)c1nccc(-c2ccc(F)c(Cl)c2)n1 |
Homo sapiens |
CHEMBL3871819 |
single protein format |
CHEMBL4104310 |
OBDepict
HO
O
N
O
O
Cl
O
N
|
Ki |
= |
1.0 |
nM |
348.74 |
O=C(O)CCn1c(=O)oc2cc(OCc3ccccn3)c(Cl)cc21 |
Homo sapiens |
CHEMBL4051431 |
assay format |
CHEMBL3407920 |
OBDepict
CH
3
O
Cl
N
N
O
OH
|
IC50 |
= |
1.2 |
nM |
264.67 |
COc1ccc(-c2cc(C(=O)O)ncn2)cc1Cl |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL3983459 |
OBDepict
CH
3
O
Cl
N
N
O
HO
|
IC50 |
= |
1.2 |
nM |
264.67 |
COc1ccc(-c2ccnc(C(=O)O)n2)cc1Cl |
Homo sapiens |
CHEMBL3871819 |
single protein format |
CHEMBL3407924 |
OBDepict
OH
O
N
N
O
|
IC50 |
= |
1.5 |
nM |
240.22 |
O=C(O)c1cc(-c2ccc3occc3c2)ncn1 |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL4764931 |
OBDepict
H
3
C
N
CH
3
S
HN
O
O
N
N
N
|
IC50 |
= |
1.9 |
nM |
423.54 |
CN(C)c1cccc(S(=O)(=O)Nc2ccc(-c3ccccc3N3CCCC3)nn2)c1 |
Homo sapiens |
CHEMBL4679434 |
mitochondrion format |
CHEMBL4756311 |
OBDepict
H
3
C
S
HN
O
O
N
N
N
H
3
C
|
IC50 |
= |
2.0 |
nM |
380.47 |
Cc1ccc(S(=O)(=O)Nc2ccc(-c3cccc4c3N(C)CC4)nn2)cc1 |
Homo sapiens |
CHEMBL4679434 |
mitochondrion format |
CHEMBL3924368 |
OBDepict
Cl
O
N
O
N
O
OH
|
IC50 |
= |
2.0 |
nM |
306.71 |
O=C(O)c1nccc(-c2ccc(OC3COC3)c(Cl)c2)n1 |
Homo sapiens |
CHEMBL3871819 |
single protein format |
CHEMBL3407926 |
OBDepict
Cl
O
N
O
N
O
OH
|
IC50 |
= |
2.0 |
nM |
306.71 |
O=C(O)c1cc(-c2ccc(OC3COC3)c(Cl)c2)ncn1 |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL3407883 |
OBDepict
H
N
N
N
N
N
N
Cl
Cl
|
IC50 |
= |
2.0 |
nM |
293.12 |
Clc1ccc(-c2cc(-c3nn[nH]n3)ncn2)cc1Cl |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL3407919 |
OBDepict
Cl
O
N
F
F
F
N
O
OH
|
IC50 |
= |
2.1 |
nM |
318.64 |
O=C(O)c1cc(-c2ccc(OC(F)(F)F)c(Cl)c2)ncn1 |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL3915370 |
OBDepict
Cl
O
N
F
F
F
N
O
OH
|
IC50 |
= |
2.1 |
nM |
318.64 |
O=C(O)c1nccc(-c2ccc(OC(F)(F)F)c(Cl)c2)n1 |
Homo sapiens |
CHEMBL3871819 |
single protein format |
CHEMBL4091152 |
OBDepict
HO
O
N
O
Cl
O
CH
3
H
N
|
IC50 |
= |
2.3 |
nM |
346.77 |
C[C@@H](Oc1cc2onc(CCC(=O)O)c2cc1Cl)c1ccccn1 |
Homo sapiens |
CHEMBL4679422 |
single protein format |
CHEMBL3407874 |
OBDepict
OH
O
N
Cl
Cl
|
IC50 |
= |
3.2 |
nM |
268.1 |
O=C(O)c1cc(-c2ccc(Cl)c(Cl)c2)ccn1 |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL4744083 |
OBDepict
CH
3
S
NH
O
O
N
N
N
|
IC50 |
= |
3.3 |
nM |
408.53 |
Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3N3CCCCC3)nn2)cc1 |
Homo sapiens |
CHEMBL4679434 |
mitochondrion format |
CHEMBL4781856 |
OBDepict
H
3
C
S
HN
O
O
N
N
N
|
IC50 |
= |
4.1 |
nM |
394.5 |
Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3N3CCCC3)nn2)cc1 |
Homo sapiens |
CHEMBL4679434 |
mitochondrion format |
CHEMBL4858480 |
OBDepict
F
N
N
N
HN
S
O
O
H
3
C
|
IC50 |
= |
4.2 |
nM |
426.52 |
Cc1ccc(S(=O)(=O)Nc2ccc(-c3cc(F)ccc3N3CCCCC3)nn2)cc1 |
Homo sapiens |
CHEMBL4836402 |
mitochondrion format |
CHEMBL3407908 |
OBDepict
OH
O
N
N
Cl
F
F
F
|
IC50 |
= |
5.0 |
nM |
302.64 |
O=C(O)c1cc(-c2ccc(C(F)(F)F)c(Cl)c2)ncn1 |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL3939321 |
OBDepict
OH
O
N
N
Cl
F
F
F
|
IC50 |
= |
5.0 |
nM |
302.64 |
O=C(O)c1nccc(-c2ccc(C(F)(F)F)c(Cl)c2)n1 |
Homo sapiens |
CHEMBL3871819 |
single protein format |
CHEMBL3407877 |
OBDepict
OH
O
N
F
N
Cl
Cl
|
IC50 |
= |
6.0 |
nM |
287.08 |
O=C(O)c1ncnc(-c2ccc(Cl)c(Cl)c2)c1F |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL3965088 |
OBDepict
CH
3
O
CH
3
Cl
N
N
O
HO
|
IC50 |
= |
6.0 |
nM |
292.72 |
CC(C)Oc1ccc(-c2ccnc(C(=O)O)n2)cc1Cl |
Homo sapiens |
CHEMBL3871819 |
single protein format |
CHEMBL3407921 |
OBDepict
CH
3
O
CH
3
Cl
N
N
O
OH
|
IC50 |
= |
6.0 |
nM |
292.72 |
CC(C)Oc1ccc(-c2cc(C(=O)O)ncn2)cc1Cl |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL1881960 |
OBDepict
OH
O
N
Cl
Cl
|
IC50 |
= |
6.0 |
nM |
204.01 |
Oc1nc2cc(Cl)c(Cl)cc2o1 |
Homo sapiens |
CHEMBL4012416 |
assay format |
CHEMBL4849479 |
OBDepict
CH
3
S
NH
O
O
N
N
F
N
|
IC50 |
= |
6.1 |
nM |
426.52 |
Cc1ccc(S(=O)(=O)Nc2ccc(-c3c(F)cccc3N3CCCCC3)nn2)cc1 |
Homo sapiens |
CHEMBL4836402 |
mitochondrion format |
CHEMBL4853796 |
OBDepict
F
N
N
N
HN
S
O
O
H
3
C
|
IC50 |
= |
9.1 |
nM |
426.52 |
Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(F)cc3N3CCCCC3)nn2)cc1 |
Homo sapiens |
CHEMBL4836402 |
mitochondrion format |
CHEMBL3407880 |
OBDepict
HO
O
N
CH
3
N
Cl
Cl
|
IC50 |
= |
10.0 |
nM |
283.11 |
Cc1c(C(=O)O)ncnc1-c1ccc(Cl)c(Cl)c1 |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL3912846 |
OBDepict
Cl
N
N
O
OH
|
IC50 |
= |
11.0 |
nM |
234.64 |
O=C(O)c1nccc(-c2ccc(Cl)cc2)n1 |
Homo sapiens |
CHEMBL3871819 |
single protein format |
CHEMBL3407899 |
OBDepict
Cl
N
N
O
OH
|
IC50 |
= |
11.0 |
nM |
234.64 |
O=C(O)c1cc(-c2ccc(Cl)cc2)ncn1 |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL3936708 |
OBDepict
Cl
N
N
O
OH
Cl
Cl
|
IC50 |
= |
12.0 |
nM |
303.53 |
O=C(O)c1cc(-c2ccc(Cl)c(Cl)c2)nc(Cl)n1 |
Homo sapiens |
CHEMBL3871819 |
single protein format |
CHEMBL3407884 |
OBDepict
Cl
Cl
N
N
N
N
O
H
O
|
IC50 |
= |
12.0 |
nM |
309.11 |
O=c1[nH]c(-c2cc(-c3ccc(Cl)c(Cl)c3)ncn2)no1 |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL3407876 |
OBDepict
CH
3
N
N
O
OH
Cl
Cl
|
IC50 |
= |
12.0 |
nM |
283.11 |
Cc1nc(C(=O)O)cc(-c2ccc(Cl)c(Cl)c2)n1 |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL3407925 |
OBDepict
Cl
O
N
N
O
OH
|
IC50 |
= |
12.0 |
nM |
304.73 |
O=C(O)c1cc(-c2ccc(OC3CCC3)c(Cl)c2)ncn1 |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL3952066 |
OBDepict
Cl
O
N
N
O
OH
|
IC50 |
= |
12.0 |
nM |
304.73 |
O=C(O)c1nccc(-c2ccc(OC3CCC3)c(Cl)c2)n1 |
Homo sapiens |
CHEMBL3871819 |
single protein format |
CHEMBL4854493 |
OBDepict
F
N
N
N
HN
S
O
O
O
|
IC50 |
= |
12.8 |
nM |
434.54 |
O=S(=O)(CC1CCOCC1)Nc1ccc(-c2ccc(F)cc2N2CCCCC2)nn1 |
Homo sapiens |
CHEMBL4836402 |
mitochondrion format |
CHEMBL4872767 |
OBDepict
F
N
N
N
NH
S
O
O
O
|
IC50 |
= |
14.0 |
nM |
420.51 |
O=S(=O)(CC1CCCO1)Nc1ccc(-c2ccc(F)cc2N2CCCCC2)nn1 |
Homo sapiens |
CHEMBL4836402 |
mitochondrion format |
CHEMBL3407911 |
OBDepict
CH
3
N
N
O
OH
|
IC50 |
= |
17.0 |
nM |
214.22 |
Cc1cccc(-c2cc(C(=O)O)ncn2)c1 |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL3977350 |
OBDepict
CH
3
N
N
O
HO
|
IC50 |
= |
17.0 |
nM |
214.22 |
Cc1cccc(-c2ccnc(C(=O)O)n2)c1 |
Homo sapiens |
CHEMBL3871819 |
single protein format |
CHEMBL4850268 |
OBDepict
F
N
N
N
HN
S
O
O
O
|
IC50 |
= |
17.9 |
nM |
434.54 |
O=S(=O)(CC1CCCOC1)Nc1ccc(-c2ccc(F)cc2N2CCCCC2)nn1 |
Homo sapiens |
CHEMBL4836402 |
mitochondrion format |
CHEMBL3949609 |
OBDepict
Cl
N
N
O
OH
|
IC50 |
= |
19.0 |
nM |
234.64 |
O=C(O)c1nccc(-c2cccc(Cl)c2)n1 |
Homo sapiens |
CHEMBL3871819 |
single protein format |
CHEMBL3407900 |
OBDepict
Cl
Cl
N
N
O
OH
|
IC50 |
= |
19.0 |
nM |
269.09 |
O=C(O)c1cc(-c2cc(Cl)cc(Cl)c2)ncn1 |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL4851794 |
OBDepict
CH
3
S
NH
O
O
N
N
N
F
|
IC50 |
= |
20.0 |
nM |
426.52 |
Cc1ccc(S(=O)(=O)Nc2ccc(-c3cccc(F)c3N3CCCCC3)nn2)cc1 |
Homo sapiens |
CHEMBL4836402 |
mitochondrion format |
CHEMBL3407929 |
OBDepict
HO
O
H
H
O
Cl
Cl
|
IC50 |
= |
20.0 |
nM |
259.09 |
O=C(O)[C@H]1C[C@@H]1C(=O)c1ccc(Cl)c(Cl)c1 |
Homo sapiens |
CHEMBL3414283 |
single protein format |
CHEMBL3629571 |
OBDepict
HO
O
O
Cl
Cl
|
IC50 |
= |
20.0 |
nM |
259.09 |
O=C(O)C1CC1C(=O)c1ccc(Cl)c(Cl)c1 |
Homo sapiens |
CHEMBL3630810 |
single protein format |
CHEMBL3407909 |
OBDepict
OH
O
N
N
F
F
F
|
IC50 |
= |
22.0 |
nM |
268.19 |
O=C(O)c1cc(-c2cccc(C(F)(F)F)c2)ncn1 |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL3968864 |
OBDepict
OH
O
N
N
F
F
F
|
IC50 |
= |
22.0 |
nM |
268.19 |
O=C(O)c1nccc(-c2cccc(C(F)(F)F)c2)n1 |
Homo sapiens |
CHEMBL3871819 |
single protein format |
CHEMBL3407885 |
OBDepict
O
N
H
N
S
O
O
N
Cl
Cl
|
IC50 |
= |
25.0 |
nM |
408.27 |
O=C(NS(=O)(=O)c1ccccc1)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1 |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL4877327 |
OBDepict
H
3
C
CH
3
S
NH
O
O
N
N
N
F
|
IC50 |
= |
27.2 |
nM |
392.5 |
CC(C)CS(=O)(=O)Nc1ccc(-c2ccc(F)cc2N2CCCCC2)nn1 |
Homo sapiens |
CHEMBL4836402 |
mitochondrion format |
CHEMBL4866526 |
OBDepict
F
N
N
N
NH
S
O
O
|
IC50 |
= |
28.6 |
nM |
418.54 |
O=S(=O)(CC1CCCC1)Nc1ccc(-c2ccc(F)cc2N2CCCCC2)nn1 |
Homo sapiens |
CHEMBL4836402 |
mitochondrion format |
CHEMBL3407912 |
OBDepict
OH
O
N
N
F
F
F
F
|
IC50 |
= |
32.0 |
nM |
286.18 |
O=C(O)c1cc(-c2ccc(F)c(C(F)(F)F)c2)ncn1 |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL3971724 |
OBDepict
OH
O
N
N
F
F
F
F
|
IC50 |
= |
32.0 |
nM |
286.18 |
O=C(O)c1nccc(-c2ccc(F)c(C(F)(F)F)c2)n1 |
Homo sapiens |
CHEMBL3871819 |
single protein format |
CHEMBL3407882 |
OBDepict
CH
3
O
N
N
O
OH
Cl
Cl
|
IC50 |
= |
33.0 |
nM |
313.14 |
COCc1c(C(=O)O)ncnc1-c1ccc(Cl)c(Cl)c1 |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL4869777 |
OBDepict
F
N
N
N
HN
S
O
O
O
|
IC50 |
= |
34.1 |
nM |
434.54 |
O=S(=O)(CC1CCCCO1)Nc1ccc(-c2ccc(F)cc2N2CCCCC2)nn1 |
Homo sapiens |
CHEMBL4836402 |
mitochondrion format |
CHEMBL4745247 |
OBDepict
H
3
C
S
HN
O
O
N
S
+
N
O
_
O
|
IC50 |
= |
37.0 |
nM |
375.43 |
Cc1ccc(S(=O)(=O)Nc2ncc(-c3cccc([N+](=O)[O-])c3)s2)cc1 |
Homo sapiens |
CHEMBL4679422 |
single protein format |
CHEMBL134915 |
OBDepict
H
3
C
O
O
S
H
3
C
HN
O
O
S
N
+
N
O
_
O
|
IC50 |
= |
37.0 |
nM |
421.46 |
COc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC |
Homo sapiens |
CHEMBL3630810 |
single protein format |
CHEMBL3407930 |
OBDepict
H
3
C
O
O
S
H
3
C
HN
O
O
N
S
+
N
O
_
O
|
IC50 |
= |
37.0 |
nM |
421.46 |
COc1ccc(S(=O)(=O)Nc2ncc(-c3cccc([N+](=O)[O-])c3)s2)cc1OC |
Homo sapiens |
CHEMBL3414283 |
single protein format |
CHEMBL4873105 |
OBDepict
H
3
C
S
NH
O
O
N
N
N
F
|
IC50 |
= |
37.1 |
nM |
378.47 |
CCCS(=O)(=O)Nc1ccc(-c2ccc(F)cc2N2CCCCC2)nn1 |
Homo sapiens |
CHEMBL4836402 |
mitochondrion format |
CHEMBL3407867 |
OBDepict
OH
O
N
N
|
IC50 |
= |
38.0 |
nM |
200.2 |
O=C(O)c1cc(-c2ccccc2)ncn1 |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL3948527 |
OBDepict
Cl
F
N
N
O
HO
|
IC50 |
= |
38.0 |
nM |
252.63 |
O=C(O)c1nccc(-c2ccc(Cl)cc2F)n1 |
Homo sapiens |
CHEMBL3871819 |
single protein format |
CHEMBL3407907 |
OBDepict
Cl
F
N
N
O
OH
|
IC50 |
= |
38.0 |
nM |
252.63 |
O=C(O)c1cc(-c2ccc(Cl)cc2F)ncn1 |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL4858343 |
OBDepict
F
N
N
N
NH
S
O
O
F
F
F
|
IC50 |
= |
38.7 |
nM |
418.42 |
O=S(=O)(CC(F)(F)F)Nc1ccc(-c2ccc(F)cc2N2CCCCC2)nn1 |
Homo sapiens |
CHEMBL4836402 |
mitochondrion format |
CHEMBL3407879 |
OBDepict
H
3
C
O
N
N
O
OH
Cl
Cl
|
IC50 |
= |
40.0 |
nM |
299.11 |
COc1c(C(=O)O)ncnc1-c1ccc(Cl)c(Cl)c1 |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL3933304 |
OBDepict
Cl
O
N
N
O
OH
|
IC50 |
= |
49.0 |
nM |
304.73 |
O=C(O)c1nccc(-c2ccc(OCC3CC3)c(Cl)c2)n1 |
Homo sapiens |
CHEMBL3871819 |
single protein format |
CHEMBL3407923 |
OBDepict
Cl
O
N
N
O
HO
|
IC50 |
= |
49.0 |
nM |
304.73 |
O=C(O)c1cc(-c2ccc(OCC3CC3)c(Cl)c2)ncn1 |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL3407927 |
OBDepict
Cl
O
N
N
O
HO
|
IC50 |
= |
57.0 |
nM |
318.76 |
O=C(O)c1cc(-c2ccc(OC3CCCC3)c(Cl)c2)ncn1 |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL3907526 |
OBDepict
Cl
O
N
N
O
OH
|
IC50 |
= |
57.0 |
nM |
318.76 |
O=C(O)c1nccc(-c2ccc(OC3CCCC3)c(Cl)c2)n1 |
Homo sapiens |
CHEMBL3871819 |
single protein format |
CHEMBL3407915 |
OBDepict
H
3
C
O
Cl
N
N
O
OH
|
IC50 |
= |
60.0 |
nM |
264.67 |
COc1cc(-c2cc(C(=O)O)ncn2)ccc1Cl |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL3912403 |
OBDepict
CH
3
O
H
3
C
N
N
O
OH
|
IC50 |
= |
60.0 |
nM |
244.25 |
COc1cc(-c2ccnc(C(=O)O)n2)ccc1C |
Homo sapiens |
CHEMBL3871819 |
single protein format |
CHEMBL4846635 |
OBDepict
H
3
C
O
S
NH
O
O
N
N
N
F
|
IC50 |
= |
61.6 |
nM |
408.5 |
COCCCS(=O)(=O)Nc1ccc(-c2ccc(F)cc2N2CCCCC2)nn1 |
Homo sapiens |
CHEMBL4836402 |
mitochondrion format |
CHEMBL3977740 |
OBDepict
F
F
N
N
O
HO
|
IC50 |
= |
76.0 |
nM |
236.18 |
O=C(O)c1nccc(-c2ccc(F)cc2F)n1 |
Homo sapiens |
CHEMBL3871819 |
single protein format |
CHEMBL3407906 |
OBDepict
F
F
N
N
O
OH
|
IC50 |
= |
76.0 |
nM |
236.18 |
O=C(O)c1cc(-c2ccc(F)cc2F)ncn1 |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL3407917 |
OBDepict
Cl
O
N
N
N
O
HO
O
|
IC50 |
= |
83.0 |
nM |
363.8 |
O=C(O)c1cc(-c2ccc(OCCN3CCOCC3)c(Cl)c2)ncn1 |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL3931378 |
OBDepict
Cl
O
N
N
N
O
HO
O
|
IC50 |
= |
83.0 |
nM |
363.8 |
O=C(O)c1nccc(-c2ccc(OCCN3CCOCC3)c(Cl)c2)n1 |
Homo sapiens |
CHEMBL3871819 |
single protein format |
CHEMBL4862539 |
OBDepict
CH
3
O
S
NH
O
O
N
N
N
F
|
IC50 |
= |
83.9 |
nM |
394.47 |
COCCS(=O)(=O)Nc1ccc(-c2ccc(F)cc2N2CCCCC2)nn1 |
Homo sapiens |
CHEMBL4836402 |
mitochondrion format |
CHEMBL3407875 |
OBDepict
OH
O
N
Cl
Cl
|
IC50 |
= |
90.0 |
nM |
268.1 |
O=C(O)c1ccnc(-c2ccc(Cl)c(Cl)c2)c1 |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL4850797 |
OBDepict
CH
3
S
NH
O
O
N
N
N
F
|
IC50 |
= |
115.5 |
nM |
364.45 |
CCS(=O)(=O)Nc1ccc(-c2ccc(F)cc2N2CCCCC2)nn1 |
Homo sapiens |
CHEMBL4836402 |
mitochondrion format |
CHEMBL3407878 |
OBDepict
OH
O
N
OH
N
Cl
Cl
|
IC50 |
= |
140.0 |
nM |
285.09 |
O=C(O)c1ncnc(-c2ccc(Cl)c(Cl)c2)c1O |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL97993 |
OBDepict
OH
O
O
Cl
Cl
|
IC50 |
= |
180.0 |
nM |
337.2 |
O=C(CC(Cc1ccccc1)C(=O)O)c1ccc(Cl)c(Cl)c1 |
Homo sapiens |
CHEMBL842820 |
single protein format |
CHEMBL554000 |
OBDepict
OH
O
NH
2
O
Cl
Cl
ClH
|
IC50 |
= |
200.0 |
nM |
298.55 |
Cl.NC(CC(=O)c1ccc(Cl)c(Cl)c1)C(=O)O |
Homo sapiens |
CHEMBL881158 |
single protein format |
CHEMBL3407881 |
OBDepict
HO
O
N
NH
2
N
Cl
Cl
|
IC50 |
= |
260.0 |
nM |
284.1 |
Nc1c(C(=O)O)ncnc1-c1ccc(Cl)c(Cl)c1 |
Homo sapiens |
CHEMBL3413142 |
single protein format |
CHEMBL3974009 |
OBDepict
O
NH
N
N
Cl
Cl
|
IC50 |
= |
270.0 |
nM |
344.2 |
O=C(Nc1ccccc1)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1 |
Homo sapiens |
CHEMBL3871819 |
single protein format |