molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL38 |
|
Ki |
= |
1.4 |
nM |
300.44 |
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1 |
Homo sapiens |
CHEMBL681085 |
single protein format |
CHEMBL337393 |
OBDepict
F
F
O
CH
3
CH
3
H
3
C
F
F
CH
3
O
OH
|
Ki |
= |
2.8 |
nM |
462.48 |
C/C(=C/C=C/C(C)=C/C(=O)O)c1cc(-c2cc(F)cc(F)c2)cc(C(C)C)c1OCC(F)F |
Homo sapiens |
CHEMBL806019 |
cell-based format |
CHEMBL130232 |
OBDepict
F
F
O
CH
3
CH
3
H
3
C
F
CH
3
O
OH
|
Ki |
= |
2.9 |
nM |
444.49 |
C/C(=C/C=C/C(C)=C/C(=O)O)c1cc(-c2cccc(F)c2)cc(C(C)C)c1OCC(F)F |
Homo sapiens |
CHEMBL806019 |
cell-based format |
CHEMBL705 |
OBDepict
CH
3
CH
3
CH
3
H
3
C
CH
3
O
OH
|
IC50 |
= |
4.0 |
nM |
300.44 |
CC1=C(/C=C/C(C)=CC=CC(C)=CC(=O)O)C(C)(C)CCC1 |
Homo sapiens |
CHEMBL800767 |
single protein format |
CHEMBL111589 |
OBDepict
CH
3
O
H
3
C
CH
3
H
3
C
H
3
C
CH
3
CH
3
O
OH
|
Ki |
= |
4.0 |
nM |
368.52 |
COc1cc2c(cc1/C(C)=CC=CC(C)=CC(=O)O)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL798966 |
single protein format |
CHEMBL162334 |
OBDepict
OH
N
CH
3
CH
3
H
3
C
H
3
C
CH
3
O
OH
|
Ki |
= |
5.0 |
nM |
365.47 |
Cc1cc2c(cc1/C(=N/O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL803362 |
single protein format |
CHEMBL92284 |
OBDepict
CH
3
O
HO
CH
3
H
3
C
CH
3
CH
3
H
3
C
|
Ki |
= |
5.0 |
nM |
352.52 |
CC(/C=C/C1(c2cc3c(cc2C)C(C)(C)CCC3(C)C)CC1)=CC(=O)O |
Homo sapiens |
CHEMBL800769 |
single protein format |
CHEMBL130374 |
OBDepict
F
F
O
H
3
C
H
3
C
CH
3
S
CH
3
O
OH
|
Ki |
= |
5.6 |
nM |
432.53 |
C/C(=C/C=C/C(C)=C/C(=O)O)c1cc(-c2cccs2)cc(C(C)C)c1OCC(F)F |
Homo sapiens |
CHEMBL806019 |
cell-based format |
CHEMBL133915 |
OBDepict
F
F
O
CH
3
CH
3
H
3
C
CH
3
F
O
OH
|
Ki |
= |
5.6 |
nM |
444.49 |
C/C(=C/C=C/C(C)=C/C(=O)O)c1cc(-c2ccc(F)cc2)cc(C(C)C)c1OCC(F)F |
Homo sapiens |
CHEMBL806019 |
cell-based format |
CHEMBL93518 |
OBDepict
HO
O
CH
3
CH
3
H
3
C
H
3
C
CH
3
|
Ki |
= |
6.0 |
nM |
338.49 |
CC(/C=C/C1(c2ccc3c(c2)C(C)(C)CCC3(C)C)CC1)=CC(=O)O |
Homo sapiens |
CHEMBL800769 |
single protein format |
CHEMBL133896 |
OBDepict
H
3
C
O
H
3
C
H
3
C
CH
3
F
F
F
F
F
CH
3
O
OH
|
Ki |
= |
7.7 |
nM |
432.43 |
CCOc1c(/C(C)=CC=CC(C)=CC(=O)O)cc(C(F)(F)C(F)(F)F)cc1C(C)C |
Homo sapiens |
CHEMBL806019 |
cell-based format |
CHEMBL423465 |
OBDepict
H
3
C
O
N
CH
3
H
3
C
H
3
C
CH
3
CH
3
O
HO
|
Ki |
= |
8.0 |
nM |
379.5 |
CO/N=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL803362 |
single protein format |
CHEMBL89241 |
OBDepict
H
3
C
CH
3
H
3
C
CH
3
CH
3
CH
3
H
3
C
H
3
C
O
HO
|
Ki |
= |
9.3 |
nM |
340.51 |
CC(/C=C/C=C(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)=CC(=O)O |
Homo sapiens |
CHEMBL803363 |
single protein format |
CHEMBL208316 |
OBDepict
CH
3
N
CH
3
CH
3
CH
3
H
3
C
CH
3
H
3
C
O
HO
|
Ki |
= |
10.0 |
nM |
383.58 |
CCCN(C/C=C/C(C)=C/C(=O)O)c1cc(C(C)(C)C)cc2c1CCC2(C)C |
Homo sapiens |
CHEMBL865142 |
single protein format |
CHEMBL424636 |
OBDepict
CH
3
CH
3
H
3
C
CH
3
CH
3
H
3
C
H
3
C
O
OH
|
IC50 |
= |
10.0 |
nM |
390.57 |
C/C(=Cc1ccc(C(=O)O)cc1)c1cc2c(cc1C(C)C)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL800767 |
single protein format |
CHEMBL284937 |
OBDepict
CH
3
CH
3
CH
3
H
3
C
H
3
C
CH
3
O
OH
|
IC50 |
= |
10.0 |
nM |
376.54 |
CCc1cc2c(cc1/C(C)=C/c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL800767 |
single protein format |
CHEMBL422088 |
OBDepict
F
F
O
CH
3
CH
3
H
3
C
F
CH
3
O
OH
|
Ki |
= |
10.9 |
nM |
444.49 |
C/C(=C/C=C/C(C)=C/C(=O)O)c1cc(-c2ccccc2F)cc(C(C)C)c1OCC(F)F |
Homo sapiens |
CHEMBL806019 |
cell-based format |
CHEMBL41890 |
OBDepict
CH
3
O
CH
3
CH
3
CH
3
H
3
C
S
H
3
C
O
HO
|
Ki |
= |
12.0 |
nM |
422.59 |
CCOc1c(-c2cccc3sc(/C(C)=C/C(=O)O)cc23)cc(C(C)C)cc1C(C)C |
Homo sapiens |
CHEMBL799931 |
single protein format |
CHEMBL288436 |
OBDepict
CH
3
H
3
C
CH
3
N
CH
3
H
3
C
O
OH
|
Ki |
= |
12.0 |
nM |
363.5 |
Cc1cc2c(cc1C1(c3ccc(C(=O)O)cn3)CC1)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL806019 |
cell-based format |
CHEMBL335242 |
OBDepict
OH
O
H
3
C
F
CH
3
O
H
3
C
H
3
C
CH
3
CH
3
H
3
C
CH
3
F
F
F
|
Ki |
= |
12.4 |
nM |
456.52 |
CC(/C=C/C(F)=C(/C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1OCC(F)(F)F)=CC(=O)O |
Homo sapiens |
CHEMBL806019 |
cell-based format |
CHEMBL111217 |
OBDepict
F
F
O
CH
3
H
3
C
H
3
C
CH
3
F
CH
3
CH
3
H
3
C
CH
3
O
OH
|
Ki |
= |
13.2 |
nM |
438.53 |
CC(/C=C/C(F)=C(/C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1OCC(F)F)=CC(=O)O |
Homo sapiens |
CHEMBL806019 |
cell-based format |
CHEMBL164902 |
OBDepict
N
O
N
CH
3
CH
3
H
3
C
H
3
C
CH
3
O
OH
|
Ki |
= |
14.0 |
nM |
404.51 |
Cc1cc2c(cc1/C(=N/OCC#N)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL803362 |
single protein format |
CHEMBL109581 |
OBDepict
CH
3
O
CH
3
H
3
C
CH
3
CH
3
H
3
C
CH
3
O
OH
|
Ki |
= |
14.0 |
nM |
396.57 |
CCCOc1cc2c(cc1/C(C)=CC=CC(C)=CC(=O)O)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL798966 |
single protein format |
CHEMBL109847 |
OBDepict
CH
3
O
CH
3
CH
3
H
3
C
H
3
C
CH
3
CH
3
O
OH
|
Ki |
= |
17.0 |
nM |
382.54 |
CCOc1cc2c(cc1/C(C)=CC=CC(C)=CC(=O)O)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL798966 |
single protein format |
CHEMBL41742 |
OBDepict
CH
3
O
CH
3
CH
3
CH
3
H
3
C
S
H
3
C
O
HO
|
Ki |
= |
20.0 |
nM |
436.62 |
CCCOc1c(-c2cccc3sc(/C(C)=C/C(=O)O)cc23)cc(C(C)C)cc1C(C)C |
Homo sapiens |
CHEMBL799931 |
single protein format |
CHEMBL41260 |
OBDepict
OH
O
H
3
C
S
O
CH
3
CH
3
H
3
C
H
3
C
H
3
C
CH
3
F
F
F
|
Ki |
= |
20.0 |
nM |
504.61 |
C/C(=CC(=O)O)c1cc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3OCC(F)(F)F)cccc2s1 |
Homo sapiens |
CHEMBL799931 |
single protein format |
CHEMBL290761 |
OBDepict
F
F
O
CH
3
CH
3
CH
3
H
3
C
H
3
C
CH
3
S
H
3
C
O
OH
|
Ki |
= |
20.0 |
nM |
486.62 |
C/C(=CC(=O)O)c1cc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3OCC(F)F)cccc2s1 |
Homo sapiens |
CHEMBL799931 |
single protein format |
CHEMBL41146 |
OBDepict
F
O
H
3
C
H
3
C
CH
3
CH
3
CH
3
H
3
C
S
H
3
C
O
OH
|
Ki |
= |
21.0 |
nM |
482.66 |
C/C(=CC(=O)O)c1cc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3OCCCF)cccc2s1 |
Homo sapiens |
CHEMBL799931 |
single protein format |
CHEMBL424639 |
OBDepict
F
F
O
H
3
C
CH
3
CH
3
CH
3
O
OH
|
Ki |
= |
22.5 |
nM |
426.5 |
C/C(=C/C=C/C(C)=C/C(=O)O)c1cc(C(C)C)cc(-c2ccccc2)c1OCC(F)F |
Homo sapiens |
CHEMBL806019 |
cell-based format |
CHEMBL131122 |
OBDepict
H
3
C
O
CH
3
F
F
F
F
F
H
3
C
CH
3
CH
3
O
OH
|
Ki |
= |
23.6 |
nM |
446.46 |
CCCOc1c(/C(C)=CC=CC(C)=CC(=O)O)cc(C(C)C)cc1C(F)(F)C(F)(F)F |
Homo sapiens |
CHEMBL806019 |
cell-based format |
CHEMBL705 |
OBDepict
CH
3
CH
3
CH
3
H
3
C
CH
3
O
OH
|
Ki |
= |
27.0 |
nM |
300.44 |
CC1=C(/C=C/C(C)=CC=CC(C)=CC(=O)O)C(C)(C)CCC1 |
Homo sapiens |
CHEMBL803366 |
single protein format |
CHEMBL132568 |
OBDepict
CH
3
O
CH
3
CH
3
H
3
C
F
F
F
F
F
CH
3
O
OH
|
Ki |
= |
27.6 |
nM |
446.46 |
CCCOc1c(/C(C)=CC=CC(C)=CC(=O)O)cc(C(F)(F)C(F)(F)F)cc1C(C)C |
Homo sapiens |
CHEMBL806019 |
cell-based format |
CHEMBL131826 |
OBDepict
CH
3
O
CH
3
CH
3
H
3
C
F
H
3
C
CH
3
CH
3
O
OH
|
Ki |
= |
27.8 |
nM |
402.55 |
CCCCOc1c(/C(C)=C(F)C=CC(C)=CC(=O)O)cc(C(C)C)cc1C(C)C |
Homo sapiens |
CHEMBL806019 |
cell-based format |
CHEMBL290246 |
OBDepict
CH
3
O
CH
3
CH
3
O
CH
3
H
3
C
H
3
C
F
O
OH
|
Ki |
= |
28.0 |
nM |
452.57 |
CCCCOc1c(-c2cccc3cc(/C(C)=C(F)C(=O)O)oc23)cc(C(C)C)cc1C(C)C |
Homo sapiens |
CHEMBL799931 |
single protein format |
CHEMBL291034 |
OBDepict
CH
3
O
CH
3
CH
3
CH
3
H
3
C
H
3
C
CH
3
S
H
3
C
O
HO
|
Ki |
= |
28.0 |
nM |
520.78 |
CCCCCCCOc1c(-c2cccc3sc(/C(C)=C/C(=O)O)cc23)cc(C(C)(C)C)cc1C(C)(C)C |
Homo sapiens |
CHEMBL799931 |
single protein format |
CHEMBL2372524 |
OBDepict
H
2
N
O
NH
O
N
H
H
3
C
H
O
NH
H
P
O
OH
HO
|
Ki |
= |
29.0 |
nM |
372.32 |
C[C@H](NC(=O)[C@H](Cc1ccccc1)NP(=O)(O)O)C(=O)NCC(N)=O |
Homo sapiens |
CHEMBL799931 |
single protein format |
CHEMBL204725 |
OBDepict
CH
3
N
CH
3
CH
3
CH
3
H
3
C
CH
3
H
3
C
O
HO
|
Ki |
= |
31.0 |
nM |
397.6 |
CCCCN(C/C=C/C(C)=C/C(=O)O)c1cc(C(C)(C)C)cc2c1CCC2(C)C |
Homo sapiens |
CHEMBL865142 |
single protein format |
CHEMBL205634 |
OBDepict
CH
3
N
H
3
C
H
3
C
CH
3
CH
3
H
3
C
CH
3
H
3
C
O
HO
|
Ki |
= |
35.0 |
nM |
357.54 |
CCN(C/C=C/C(C)=C/C(=O)O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 |
Homo sapiens |
CHEMBL865142 |
single protein format |
CHEMBL43238 |
OBDepict
F
F
O
CH
3
CH
3
CH
3
H
3
C
H
3
C
CH
3
S
CH
3
O
HO
|
Ki |
= |
37.0 |
nM |
500.65 |
C/C(=CC(=O)O)c1cc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3OCCC(F)F)cccc2s1 |
Homo sapiens |
CHEMBL799931 |
single protein format |
CHEMBL379057 |
OBDepict
H
3
C
N
H
3
C
H
3
C
CH
3
CH
3
H
3
C
CH
3
H
3
C
O
HO
|
Ki |
= |
38.0 |
nM |
371.57 |
CCCN(C/C=C/C(C)=C/C(=O)O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 |
Homo sapiens |
CHEMBL865142 |
single protein format |
CHEMBL130231 |
OBDepict
CH
3
H
3
C
H
3
C
CH
3
O
CH
3
H
3
C
F
CH
3
F
F
H
3
C
O
HO
|
Ki |
= |
40.3 |
nM |
466.58 |
CCC(C)(C)c1cc(/C(C)=C(F)C=CC(C)=CC(=O)O)c(OCC(F)F)c(C(C)(C)CC)c1 |
Homo sapiens |
CHEMBL806019 |
cell-based format |
CHEMBL166201 |
OBDepict
CH
3
O
N
CH
3
CH
3
CH
3
H
3
C
H
3
C
O
OH
|
Ki |
= |
42.0 |
nM |
393.53 |
CCO/N=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL803362 |
single protein format |
CHEMBL424269 |
OBDepict
H
3
C
O
CH
3
CH
3
CH
3
F
F
F
F
F
H
3
C
O
HO
|
Ki |
= |
45.7 |
nM |
460.48 |
CCCCOc1c(/C(C)=CC=CC(C)=CC(=O)O)cc(C(F)(F)C(F)(F)F)cc1C(C)C |
Homo sapiens |
CHEMBL806019 |
cell-based format |
CHEMBL41422 |
OBDepict
F
F
O
CH
3
H
3
C
O
H
3
C
CH
3
CH
3
F
O
HO
|
Ki |
= |
49.0 |
nM |
460.49 |
C/C(=C(/F)C(=O)O)c1cc2cccc(-c3cc(C(C)C)cc(C(C)C)c3OCC(F)F)c2o1 |
Homo sapiens |
CHEMBL799931 |
single protein format |
CHEMBL44420 |
OBDepict
OH
O
H
3
C
S
CH
3
CH
3
CH
3
H
3
C
H
3
C
H
3
C
CH
3
|
Ki |
= |
54.0 |
nM |
420.62 |
C/C(=CC(=O)O)c1cc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3C)cccc2s1 |
Homo sapiens |
CHEMBL799931 |
single protein format |
CHEMBL165734 |
OBDepict
H
3
C
O
N
CH
3
H
3
C
H
3
C
CH
3
CH
3
O
HO
|
Ki |
= |
57.0 |
nM |
407.55 |
CCCO/N=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL803362 |
single protein format |
CHEMBL348797 |
OBDepict
OH
N
Br
CH
3
CH
3
H
3
C
H
3
C
O
OH
|
Ki |
= |
57.0 |
nM |
430.34 |
CC1(C)CCC(C)(C)c2cc(/C(=N/O)c3ccc(C(=O)O)cc3)c(Br)cc21 |
Homo sapiens |
CHEMBL803362 |
single protein format |
CHEMBL1023 |
OBDepict
CH
3
CH
2
H
3
C
H
3
C
CH
3
CH
3
O
OH
|
Ki |
= |
75.0 |
nM |
348.49 |
C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL803365 |
single protein format |
CHEMBL166244 |
OBDepict
H
2
C
O
N
CH
3
H
3
C
H
3
C
CH
3
CH
3
O
HO
|
Ki |
= |
80.0 |
nM |
405.54 |
C=CCO/N=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL803362 |
single protein format |
CHEMBL42314 |
OBDepict
F
F
O
CH
3
H
3
C
H
3
C
CH
3
CH
3
CH
3
H
3
C
CH
3
O
OH
|
Ki |
= |
84.0 |
nM |
420.54 |
C/C(=C/C=C/C(C)=C/C(=O)O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1OCC(F)F |
Homo sapiens |
CHEMBL806019 |
cell-based format |
CHEMBL427391 |
OBDepict
H
3
C
N
H
3
C
CH
3
H
3
C
CH
3
H
3
C
CH
3
O
OH
|
Ki |
= |
99.0 |
nM |
369.55 |
CCN(C/C=C/C(C)=C/C(=O)O)c1cc2c(cc1C)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL865142 |
single protein format |
CHEMBL32505 |
OBDepict
CH
3
CH
3
CH
3
CH
3
H
3
C
H
3
C
O
OH
|
IC50 |
= |
100.0 |
nM |
362.51 |
C/C(=Cc1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL800767 |
single protein format |
CHEMBL378926 |
OBDepict
HO
O
CH
3
H
N
CH
3
H
3
C
H
3
C
CH
3
|
Ki |
= |
100.0 |
nM |
367.53 |
CC(/C=C/[C@@H]1CCCN1c1ccc2c(c1)C(C)(C)CCC2(C)C)=CC(=O)O |
Homo sapiens |
CHEMBL865142 |
single protein format |
CHEMBL205600 |
OBDepict
H
3
C
N
H
3
C
CH
3
H
3
C
CH
3
H
3
C
O
HO
|
Ki |
= |
110.0 |
nM |
369.55 |
CCCN(C/C=C/C(C)=C/C(=O)O)c1ccc2c(c1)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL865142 |
single protein format |
CHEMBL205694 |
OBDepict
HO
O
CH
3
N
CH
3
CH
3
H
3
C
H
3
C
CH
3
CH
3
H
3
C
|
Ki |
= |
121.0 |
nM |
383.58 |
CC(/C=C/CN(c1cc(C(C)(C)C)cc2c1CCC2(C)C)C(C)C)=CC(=O)O |
Homo sapiens |
CHEMBL865142 |
single protein format |
CHEMBL208213 |
OBDepict
H
3
C
N
CH
3
H
3
C
CH
3
CH
3
CH
3
H
3
C
H
3
C
O
HO
|
Ki |
= |
131.0 |
nM |
343.51 |
CC(/C=C/CN(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)=CC(=O)O |
Homo sapiens |
CHEMBL865142 |
single protein format |
CHEMBL377178 |
OBDepict
OH
O
H
3
C
N
CH
3
CH
3
CH
3
H
3
C
CH
3
|
Ki |
= |
150.0 |
nM |
395.59 |
CC(/C=C/CN(CC1CC1)c1cc(C(C)(C)C)cc2c1CCC2(C)C)=CC(=O)O |
Homo sapiens |
CHEMBL865142 |
single protein format |
CHEMBL378553 |
OBDepict
CH
3
N
CH
3
H
3
C
CH
3
H
3
C
CH
3
O
OH
|
Ki |
= |
162.0 |
nM |
355.52 |
CCN(C/C=C/C(C)=C/C(=O)O)c1ccc2c(c1)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL865142 |
single protein format |
CHEMBL93848 |
OBDepict
OH
O
CH
3
CH
3
H
3
C
H
3
C
CH
3
|
Ki |
= |
172.0 |
nM |
366.55 |
CC(/C=C/C1(c2ccc3c(c2)C(C)(C)CCC3(C)C)CCCC1)=CC(=O)O |
Homo sapiens |
CHEMBL800769 |
single protein format |
CHEMBL208503 |
OBDepict
HO
O
CH
3
H
N
CH
3
H
3
C
H
3
C
CH
3
|
Ki |
= |
202.0 |
nM |
367.53 |
CC(/C=C/[C@H]1CCCN1c1ccc2c(c1)C(C)(C)CCC2(C)C)=CC(=O)O |
Homo sapiens |
CHEMBL865142 |
single protein format |
CHEMBL208529 |
OBDepict
OH
O
H
3
C
N
CH
3
CH
3
CH
3
H
3
C
CH
3
H
3
C
|
Ki |
= |
207.0 |
nM |
419.61 |
CC(/C=C/CN(Cc1ccccc1)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)=CC(=O)O |
Homo sapiens |
CHEMBL865142 |
single protein format |
CHEMBL3350249 |
OBDepict
OH
N
CH
3
CH
3
H
3
C
H
3
C
CH
3
O
OH
|
Ki |
= |
209.0 |
nM |
365.47 |
Cc1cc2c(cc1/C(=NO)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL803362 |
single protein format |
CHEMBL205532 |
OBDepict
CH
3
N
CH
3
H
3
C
CH
3
CH
3
CH
3
H
3
C
O
OH
|
Ki |
= |
211.0 |
nM |
383.58 |
CCCN(C/C=C/C(C)=C/C(=O)O)c1cc2c(cc1C)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL865142 |
single protein format |
CHEMBL205894 |
OBDepict
CH
3
N
CH
3
CH
3
CH
3
H
3
C
CH
3
H
3
C
CH
3
O
OH
|
Ki |
= |
221.0 |
nM |
441.7 |
CCCCCCCCN(C/C=C/C(C)=C/C(=O)O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 |
Homo sapiens |
CHEMBL865142 |
single protein format |
CHEMBL162005 |
OBDepict
CH
3
O
N
CH
3
CH
3
CH
3
H
3
C
H
3
C
O
OH
|
Ki |
= |
224.0 |
nM |
421.58 |
CCCCO/N=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL803362 |
single protein format |
CHEMBL2110181 |
OBDepict
H
3
C
O
N
CH
3
H
3
C
H
3
C
CH
3
CH
3
O
HO
|
Ki |
= |
238.0 |
nM |
379.5 |
CO/N=C(/c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL803362 |
single protein format |
CHEMBL96184 |
OBDepict
CH
2
H
3
C
CH
3
CH
3
H
3
C
O
HO
|
Ki |
= |
290.0 |
nM |
334.46 |
C=C(c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL800769 |
single protein format |
CHEMBL98172 |
OBDepict
CH
3
O
H
3
C
CH
3
CH
3
H
3
C
O
OH
|
Ki |
= |
299.0 |
nM |
350.46 |
Cc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL803362 |
single protein format |
CHEMBL206005 |
OBDepict
H
3
C
N
O
H
3
C
H
3
C
CH
3
CH
3
H
3
C
CH
3
H
3
C
O
HO
|
Ki |
= |
299.0 |
nM |
385.55 |
CCCN(C(=O)/C=C/C(C)=C/C(=O)O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 |
Homo sapiens |
CHEMBL865142 |
single protein format |
CHEMBL204789 |
OBDepict
CH
3
CH
3
N
CH
3
CH
3
CH
3
H
3
C
CH
3
H
3
C
O
HO
|
Ki |
= |
309.0 |
nM |
409.61 |
CC(C)=CCN(C/C=C/C(C)=C/C(=O)O)c1cc(C(C)(C)C)cc2c1CCC2(C)C |
Homo sapiens |
CHEMBL865142 |
single protein format |
CHEMBL351943 |
OBDepict
CH
3
CH
3
O
N
CH
3
CH
3
H
3
C
H
3
C
CH
3
O
OH
|
Ki |
= |
323.0 |
nM |
421.58 |
Cc1cc2c(cc1/C(=N/OCC(C)C)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL803362 |
single protein format |
CHEMBL39206 |
OBDepict
OH
O
CH
3
O
O
H
3
C
CH
3
CH
3
H
3
C
F
F
F
|
Ki |
= |
334.0 |
nM |
460.49 |
C/C(=CC(=O)O)c1cc2cccc(-c3cc(C(C)C)cc(C(C)C)c3OCC(F)(F)F)c2o1 |
Homo sapiens |
CHEMBL799931 |
single protein format |
CHEMBL38 |
OBDepict
CH
3
CH
3
CH
3
H
3
C
CH
3
O
OH
|
IC50 |
= |
350.0 |
nM |
300.44 |
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1 |
Homo sapiens |
CHEMBL800767 |
single protein format |
CHEMBL162827 |
OBDepict
CH
3
N
H
3
C
CH
3
O
CH
3
H
3
C
CH
3
CH
3
H
3
C
O
OH
|
Ki |
= |
445.0 |
nM |
421.58 |
Cc1cc2c(cc1/C(=N/OC(C)(C)C)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL803362 |
single protein format |
CHEMBL2110180 |
OBDepict
CH
3
O
N
CH
3
H
3
C
H
3
C
CH
3
CH
3
O
HO
|
Ki |
= |
467.0 |
nM |
393.53 |
CCO/N=C(/c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL803362 |
single protein format |
CHEMBL265051 |
OBDepict
F
F
O
CH
3
H
3
C
O
H
3
C
CH
3
CH
3
O
OH
|
Ki |
= |
500.0 |
nM |
442.5 |
C/C(=CC(=O)O)c1cc2cccc(-c3cc(C(C)C)cc(C(C)C)c3OCC(F)F)c2o1 |
Homo sapiens |
CHEMBL799931 |
single protein format |
CHEMBL164557 |
OBDepict
CH
3
O
N
CH
3
H
3
C
H
3
C
CH
3
O
OH
|
Ki |
= |
558.0 |
nM |
365.47 |
CO/N=C(/c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL803362 |
single protein format |
CHEMBL204773 |
OBDepict
CH
3
N
O
CH
3
H
3
C
CH
3
CH
3
CH
3
H
3
C
O
OH
|
Ki |
= |
576.0 |
nM |
399.58 |
CCCN(C/C=C/C(C)=C/C(=O)O)c1cc2c(cc1OC)C(C)(C)CCC2(C)C |
Homo sapiens |
CHEMBL865142 |
single protein format |
CHEMBL337859 |
OBDepict
HO
O
N
S
CH
3
H
3
C
H
3
C
CH
3
|
Ki |
= |
620.0 |
nM |
441.6 |
CC1(C)CCC(C)(C)c2cc3c(cc21)Sc1ccccc1N=C3c1ccc(C(=O)O)cc1 |
Homo sapiens |
CHEMBL800756 |
single protein format |
CHEMBL134834 |
OBDepict
HO
O
N
CH
3
H
3
C
H
3
C
CH
3
|
Ki |
= |
1000.0 |
nM |
423.56 |
CC1(C)CCC(C)(C)c2cc3c(cc21)Cc1ccccc1N=C3c1ccc(C(=O)O)cc1 |
Homo sapiens |
CHEMBL800756 |
single protein format |
CHEMBL334330 |
OBDepict
CH
3
N
N
CH
3
H
3
C
H
3
C
CH
3
O
OH
|
Ki |
= |
1000.0 |
nM |
438.57 |
CN1c2ccccc2N=C(c2ccc(C(=O)O)cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C |
Homo sapiens |
CHEMBL800756 |
single protein format |