molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL570571 |
|
IC50 |
= |
2.6 |
nM |
434.35 |
O=C1Nc2ccc(-c3ccn[nH]3)cc2[C@](CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1 |
Homo sapiens |
CHEMBL1045787 |
assay format |
CHEMBL571707 |
OBDepict
O
HN
O
N
H
F
F
F
O
N
H
N
F
|
IC50 |
= |
4.0 |
nM |
434.35 |
O=C1Nc2ccc(-c3ccn[nH]3)cc2C(CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1 |
Homo sapiens |
CHEMBL1045787 |
assay format |
CHEMBL490110 |
OBDepict
H
3
C
N
N
H
O
CH
3
O
N
F
F
F
O
H
3
C
CH
3
|
IC50 |
= |
8.7 |
nM |
509.53 |
Cc1ccc(-n2[nH]c(C)c(C3(C(F)(F)F)C(=O)N(c4ccccc4)C4=C3C(=O)CC(C)(C)C4)c2=O)cc1 |
Homo sapiens |
CHEMBL1007916 |
cell-based format |
CHEMBL449121 |
OBDepict
O
CH
3
CH
3
N
O
F
F
F
CH
3
N
O
N
H
O
F
F
F
|
IC50 |
= |
8.9 |
nM |
579.5 |
Cc1[nH]n(-c2ccc(OC(F)(F)F)cc2)c(=O)c1C1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 |
Homo sapiens |
CHEMBL1007916 |
cell-based format |
CHEMBL493642 |
OBDepict
CH
3
CH
3
N
N
H
O
H
3
C
O
N
F
F
F
O
CH
3
H
3
C
|
IC50 |
= |
10.0 |
nM |
537.58 |
Cc1[nH]n(-c2ccc(C(C)C)cc2)c(=O)c1C1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 |
Homo sapiens |
CHEMBL1007916 |
cell-based format |
CHEMBL490750 |
OBDepict
Cl
N
N
H
O
H
3
C
O
N
F
F
F
O
CH
3
H
3
C
|
IC50 |
= |
12.0 |
nM |
529.95 |
Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 |
Homo sapiens |
CHEMBL1007916 |
cell-based format |
CHEMBL491949 |
OBDepict
N
N
N
H
O
H
3
C
O
N
F
F
F
O
CH
3
H
3
C
|
IC50 |
= |
14.0 |
nM |
520.51 |
Cc1[nH]n(-c2ccc(C#N)cc2)c(=O)c1C1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 |
Homo sapiens |
CHEMBL1007916 |
cell-based format |
CHEMBL491944 |
OBDepict
H
3
C
O
N
N
H
O
CH
3
O
N
F
F
F
O
H
3
C
CH
3
|
IC50 |
= |
17.0 |
nM |
525.53 |
COc1ccc(-n2[nH]c(C)c(C3(C(F)(F)F)C(=O)N(c4ccccc4)C4=C3C(=O)CC(C)(C)C4)c2=O)cc1 |
Homo sapiens |
CHEMBL1007916 |
cell-based format |
CHEMBL571698 |
OBDepict
O
NH
O
N
H
F
F
F
O
N
N
H
F
|
IC50 |
= |
22.0 |
nM |
434.35 |
O=C1Nc2ccc(-c3cn[nH]c3)cc2C(CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1 |
Homo sapiens |
CHEMBL1045787 |
assay format |
CHEMBL585922 |
OBDepict
O
HN
O
N
H
F
F
F
N
O
N
F
|
IC50 |
= |
26.0 |
nM |
434.35 |
O=C1Nc2ccc(-n3cccn3)cc2C(CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1 |
Homo sapiens |
CHEMBL1045787 |
assay format |
CHEMBL572158 |
OBDepict
O
HN
O
N
H
F
F
F
Cl
O
F
|
IC50 |
= |
26.0 |
nM |
402.73 |
O=C1Nc2ccc(Cl)cc2C(CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1 |
Homo sapiens |
CHEMBL1045787 |
assay format |
CHEMBL2307408 |
OBDepict
O
N
NH
H
H
H
S
O
O
H
3
C
CH
3
|
IC50 |
= |
32.0 |
nM |
412.56 |
CC(C)c1ccc(NC(=O)N2[C@H]3CC[C@@H]2C[C@H](S(=O)(=O)c2ccccc2)C3)cc1 |
Homo sapiens |
CHEMBL1031016 |
assay format |
CHEMBL570576 |
OBDepict
O
N
H
HN
O
F
F
F
F
O
NH
Cl
|
IC50 |
= |
33.0 |
nM |
417.75 |
O=C(NCC1(C(F)(F)F)OC(=O)Nc2ccc(Cl)cc21)Nc1ccc(F)cc1 |
Homo sapiens |
CHEMBL1045787 |
assay format |
CHEMBL582825 |
OBDepict
O
NH
O
N
H
F
F
F
Cl
O
H
3
C
|
IC50 |
= |
38.0 |
nM |
398.77 |
Cc1ccc(C(=O)NCC2(C(F)(F)F)OC(=O)Nc3ccc(Cl)cc32)cc1 |
Homo sapiens |
CHEMBL1045787 |
assay format |
CHEMBL576264 |
OBDepict
O
HN
O
N
H
F
F
F
N
O
O
F
|
IC50 |
= |
39.0 |
nM |
451.38 |
O=C1Nc2ccc(N3CCCC3=O)cc2C(CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1 |
Homo sapiens |
CHEMBL1045787 |
assay format |
CHEMBL521775 |
OBDepict
H
3
C
O
N
N
H
O
CH
3
O
N
F
F
F
O
H
3
C
CH
3
|
IC50 |
= |
43.0 |
nM |
525.53 |
COc1cccc(-n2[nH]c(C)c(C3(C(F)(F)F)C(=O)N(c4ccccc4)C4=C3C(=O)CC(C)(C)C4)c2=O)c1 |
Homo sapiens |
CHEMBL1007916 |
cell-based format |
CHEMBL491948 |
OBDepict
F
N
N
H
O
H
3
C
O
N
F
F
F
O
CH
3
H
3
C
|
IC50 |
= |
44.0 |
nM |
513.49 |
Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 |
Homo sapiens |
CHEMBL1007916 |
cell-based format |
CHEMBL491921 |
OBDepict
Cl
N
N
H
O
CH
3
O
N
F
F
F
O
H
3
C
CH
3
|
IC50 |
= |
44.0 |
nM |
529.95 |
Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 |
Homo sapiens |
CHEMBL1007916 |
cell-based format |
CHEMBL490760 |
OBDepict
H
3
C
O
N
N
H
O
H
3
C
O
N
F
F
F
O
CH
3
H
3
C
|
IC50 |
= |
58.0 |
nM |
525.53 |
COc1ccccc1-n1[nH]c(C)c(C2(C(F)(F)F)C(=O)N(c3ccccc3)C3=C2C(=O)CC(C)(C)C3)c1=O |
Homo sapiens |
CHEMBL1007916 |
cell-based format |
CHEMBL575156 |
OBDepict
H
3
C
O
CH
3
N
H
O
H
H
N
H
S
O
O
S
|
IC50 |
= |
67.0 |
nM |
434.58 |
CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2N(S(=O)(=O)c2ccsc2)C3)cc1 |
Homo sapiens |
CHEMBL1043978 |
cell-based format |
CHEMBL569399 |
OBDepict
O
HN
O
N
H
F
F
F
N
O
O
O
F
|
IC50 |
= |
67.0 |
nM |
453.35 |
O=C1Nc2ccc(N3CCOC3=O)cc2C(CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1 |
Homo sapiens |
CHEMBL1045787 |
assay format |
CHEMBL573551 |
OBDepict
H
3
C
O
CH
3
N
H
O
H
H
N
H
S
O
O
|
IC50 |
= |
70.0 |
nM |
428.55 |
CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2N(S(=O)(=O)c2ccccc2)C3)cc1 |
Homo sapiens |
CHEMBL1043978 |
cell-based format |
CHEMBL1163008 |
OBDepict
H
2
C
N
N
H
H
S
O
O
H
3
C
CH
3
H
3
C
|
IC50 |
= |
78.0 |
nM |
424.61 |
C=C(Nc1ccc(C(C)(C)C)cc1)N1C2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 |
Homo sapiens |
CHEMBL1031016 |
assay format |
CHEMBL2308139 |
OBDepict
O
N
NH
H
H
H
S
O
O
N
F
F
F
|
IC50 |
= |
79.0 |
nM |
439.46 |
O=C(Nc1ccc(C(F)(F)F)cc1)N1[C@H]2CC[C@@H]1C[C@H](S(=O)(=O)c1ccccn1)C2 |
Homo sapiens |
CHEMBL1031016 |
assay format |
CHEMBL572610 |
OBDepict
H
3
C
O
CH
3
N
H
O
H
H
N
H
S
O
O
N
|
IC50 |
= |
80.0 |
nM |
429.54 |
CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2N(S(=O)(=O)c2cccnc2)C3)cc1 |
Homo sapiens |
CHEMBL1043978 |
cell-based format |
CHEMBL566967 |
OBDepict
O
HN
O
N
H
F
F
F
O
F
|
IC50 |
= |
95.0 |
nM |
368.29 |
O=C1Nc2ccccc2C(CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1 |
Homo sapiens |
CHEMBL1045787 |
assay format |
CHEMBL583468 |
OBDepict
O
HN
O
N
H
F
F
F
O
N
N
H
N
F
|
IC50 |
= |
97.0 |
nM |
435.34 |
O=C1Nc2ccc(-c3ncn[nH]3)cc2C(CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1 |
Homo sapiens |
CHEMBL1045787 |
assay format |
CHEMBL491131 |
OBDepict
CH
3
N
H
N
O
O
N
F
F
F
O
CH
3
H
3
C
|
IC50 |
= |
99.0 |
nM |
509.53 |
CCc1[nH]n(-c2ccccc2)c(=O)c1C1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 |
Homo sapiens |
CHEMBL1007916 |
cell-based format |
CHEMBL570564 |
OBDepict
O
N
H
O
N
H
F
F
F
N
O
O
F
|
IC50 |
= |
106.0 |
nM |
461.37 |
O=C1Nc2ccc(-n3ccccc3=O)cc2C(CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1 |
Homo sapiens |
CHEMBL1045787 |
assay format |
CHEMBL577160 |
OBDepict
H
3
C
O
CH
3
HN
O
H
H
N
H
S
O
O
F
|
IC50 |
= |
110.0 |
nM |
446.54 |
CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2N(S(=O)(=O)c2cccc(F)c2)C3)cc1 |
Homo sapiens |
CHEMBL1043978 |
cell-based format |
CHEMBL579051 |
OBDepict
H
3
C
O
CH
3
N
H
O
H
H
N
H
S
O
O
N
|
IC50 |
= |
120.0 |
nM |
429.54 |
CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2N(S(=O)(=O)c2ccccn2)C3)cc1 |
Homo sapiens |
CHEMBL1043978 |
cell-based format |
CHEMBL572605 |
OBDepict
H
3
C
S
N
O
O
H
H
H
N
H
O
O
H
3
C
CH
3
|
IC50 |
= |
120.0 |
nM |
408.56 |
CCCCS(=O)(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)Nc1ccc(OC(C)C)cc1)C2 |
Homo sapiens |
CHEMBL1043978 |
cell-based format |
CHEMBL584964 |
OBDepict
O
HN
O
N
H
F
F
F
O
N
O
F
|
IC50 |
= |
121.0 |
nM |
435.33 |
O=C1Nc2ccc(-c3ccon3)cc2C(CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1 |
Homo sapiens |
CHEMBL1045787 |
assay format |
CHEMBL523990 |
OBDepict
H
N
N
CH
3
O
O
N
F
F
F
O
|
IC50 |
= |
123.0 |
nM |
507.51 |
Cc1[nH]n(-c2ccccc2)c(=O)c1C1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC1(CCC1)C2 |
Homo sapiens |
CHEMBL1007916 |
cell-based format |
CHEMBL578037 |
OBDepict
CH
3
O
CH
3
NH
O
H
H
N
H
S
O
O
F
|
IC50 |
= |
130.0 |
nM |
446.54 |
CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2N(S(=O)(=O)c2ccccc2F)C3)cc1 |
Homo sapiens |
CHEMBL1043978 |
cell-based format |
CHEMBL578605 |
OBDepict
O
N
H
O
O
F
F
F
F
O
NH
Cl
|
IC50 |
= |
142.0 |
nM |
418.73 |
O=C(Nc1ccc(F)cc1)OCC1(C(F)(F)F)OC(=O)Nc2ccc(Cl)cc21 |
Homo sapiens |
CHEMBL1045787 |
assay format |
CHEMBL470918 |
OBDepict
O
H
3
C
H
3
C
N
O
F
F
F
H
3
C
N
O
N
H
|
IC50 |
= |
144.0 |
nM |
459.47 |
Cc1[nH]n(-c2ccccc2)c(=O)c1C1(C(F)(F)F)C(=O)N(C2CC2)C2=C1C(=O)CC(C)(C)C2 |
Homo sapiens |
CHEMBL1007916 |
cell-based format |
CHEMBL470730 |
OBDepict
CH
3
N
O
H
3
C
CH
3
O
F
F
F
H
3
C
N
O
N
H
|
IC50 |
= |
185.0 |
nM |
461.48 |
CCCN1C(=O)C(c2c(C)[nH]n(-c3ccccc3)c2=O)(C(F)(F)F)C2=C1CC(C)(C)CC2=O |
Homo sapiens |
CHEMBL1007916 |
cell-based format |
CHEMBL574029 |
OBDepict
H
3
C
O
CH
3
N
H
O
H
H
N
H
S
O
O
F
|
IC50 |
= |
190.0 |
nM |
446.54 |
CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2N(S(=O)(=O)c2ccc(F)cc2)C3)cc1 |
Homo sapiens |
CHEMBL1043978 |
cell-based format |
CHEMBL447672 |
OBDepict
H
N
N
CH
3
O
O
N
F
F
F
O
O
H
3
C
CH
3
|
IC50 |
= |
196.0 |
nM |
587.6 |
Cc1[nH]n(-c2ccc(Oc3ccccc3)cc2)c(=O)c1C1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 |
Homo sapiens |
CHEMBL1007916 |
cell-based format |
CHEMBL490746 |
OBDepict
O
CH
3
CH
3
N
O
F
F
F
CH
3
N
O
N
H
|
IC50 |
= |
210.0 |
nM |
501.55 |
Cc1[nH]n(-c2ccccc2)c(=O)c1C1(C(F)(F)F)C(=O)N(C2CCCCC2)C2=C1C(=O)CC(C)(C)C2 |
Homo sapiens |
CHEMBL1007916 |
cell-based format |
CHEMBL575155 |
OBDepict
CH
3
S
N
O
O
H
H
H
N
H
O
O
CH
3
H
3
C
|
IC50 |
= |
210.0 |
nM |
394.54 |
CCCS(=O)(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)Nc1ccc(OC(C)C)cc1)C2 |
Homo sapiens |
CHEMBL1043978 |
cell-based format |
CHEMBL574934 |
OBDepict
CH
3
O
H
3
C
HN
O
N
S
O
O
N
N
H
3
C
|
IC50 |
= |
220.0 |
nM |
432.55 |
CC(C)Oc1ccc(NC(=O)C2CC3CCC2N(S(=O)(=O)c2cn(C)cn2)C3)cc1 |
Homo sapiens |
CHEMBL1043978 |
cell-based format |
CHEMBL489920 |
OBDepict
CH
3
O
N
O
CH
3
H
3
C
O
F
F
F
CH
3
N
O
N
H
|
IC50 |
= |
226.0 |
nM |
525.53 |
COc1cccc(N2C(=O)C(c3c(C)[nH]n(-c4ccccc4)c3=O)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)c1 |
Homo sapiens |
CHEMBL1007916 |
cell-based format |
CHEMBL578249 |
OBDepict
CH
3
O
H
3
C
HN
O
H
H
N
H
S
O
O
N
N
CH
3
|
IC50 |
= |
230.0 |
nM |
432.55 |
CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2N(S(=O)(=O)c2cn(C)cn2)C3)cc1 |
Homo sapiens |
CHEMBL1043978 |
cell-based format |
CHEMBL491125 |
OBDepict
Cl
N
O
H
3
C
CH
3
O
F
F
F
H
3
C
N
O
N
H
|
IC50 |
= |
245.0 |
nM |
529.95 |
Cc1[nH]n(-c2ccccc2)c(=O)c1C1(C(F)(F)F)C(=O)N(c2cccc(Cl)c2)C2=C1C(=O)CC(C)(C)C2 |
Homo sapiens |
CHEMBL1007916 |
cell-based format |
CHEMBL574146 |
OBDepict
O
HN
O
N
H
F
F
F
Cl
O
F
|
IC50 |
= |
261.0 |
nM |
402.73 |
O=C1Nc2ccc(Cl)cc2C(CNC(=O)c2cccc(F)c2)(C(F)(F)F)O1 |
Homo sapiens |
CHEMBL1045787 |
assay format |
CHEMBL474835 |
OBDepict
O
CH
3
CH
3
N
O
F
F
F
H
3
C
N
O
N
H
|
IC50 |
= |
271.0 |
nM |
473.5 |
Cc1[nH]n(-c2ccccc2)c(=O)c1C1(C(F)(F)F)C(=O)N(C2CCC2)C2=C1C(=O)CC(C)(C)C2 |
Homo sapiens |
CHEMBL1007916 |
cell-based format |
CHEMBL491537 |
OBDepict
H
N
N
CH
3
O
O
N
F
F
F
O
H
3
C
CH
3
|
IC50 |
= |
290.0 |
nM |
495.5 |
Cc1[nH]n(-c2ccccc2)c(=O)c1C1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 |
Homo sapiens |
CHEMBL1007916 |
cell-based format |
CHEMBL574479 |
OBDepict
H
3
C
O
CH
3
N
H
O
H
H
N
H
S
O
O
S
|
IC50 |
= |
320.0 |
nM |
434.58 |
CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2N(S(=O)(=O)c2cccs2)C3)cc1 |
Homo sapiens |
CHEMBL1043978 |
cell-based format |
CHEMBL491371 |
OBDepict
O
CH
3
CH
3
N
O
F
F
F
CH
3
N
O
N
H
|
IC50 |
= |
411.0 |
nM |
487.52 |
Cc1[nH]n(-c2ccccc2)c(=O)c1C1(C(F)(F)F)C(=O)N(C2CCCC2)C2=C1C(=O)CC(C)(C)C2 |
Homo sapiens |
CHEMBL1007916 |
cell-based format |
CHEMBL569176 |
OBDepict
O
NH
O
N
H
F
F
F
Cl
O
H
3
C
|
IC50 |
= |
437.0 |
nM |
398.77 |
Cc1cccc(C(=O)NCC2(C(F)(F)F)OC(=O)Nc3ccc(Cl)cc32)c1 |
Homo sapiens |
CHEMBL1045787 |
assay format |
CHEMBL2308143 |
OBDepict
O
N
NH
H
H
H
S
O
O
N
F
F
F
|
IC50 |
= |
510.0 |
nM |
439.46 |
O=C(Nc1ccc(C(F)(F)F)cc1)N1[C@H]2CC[C@@H]1C[C@H](S(=O)(=O)c1ccncc1)C2 |
Homo sapiens |
CHEMBL1031016 |
assay format |
CHEMBL574936 |
OBDepict
H
3
C
S
N
O
O
H
H
H
HN
O
O
F
F
F
|
IC50 |
= |
510.0 |
nM |
434.48 |
CCCCS(=O)(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)C2 |
Homo sapiens |
CHEMBL1043978 |
cell-based format |
CHEMBL522448 |
OBDepict
CH
3
N
O
CH
3
H
3
C
O
F
F
F
CH
3
N
O
N
H
|
IC50 |
= |
520.0 |
nM |
433.43 |
Cc1[nH]n(-c2ccccc2)c(=O)c1C1(C(F)(F)F)C(=O)N(C)C2=C1C(=O)CC(C)(C)C2 |
Homo sapiens |
CHEMBL1007916 |
cell-based format |
CHEMBL566966 |
OBDepict
O
HN
O
N
H
F
F
F
O
N
N
H
F
|
IC50 |
= |
537.0 |
nM |
434.35 |
O=C1Nc2ccc(-c3ncc[nH]3)cc2C(CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1 |
Homo sapiens |
CHEMBL1045787 |
assay format |
CHEMBL572159 |
OBDepict
O
HN
O
N
H
F
F
F
Cl
O
F
|
IC50 |
= |
539.0 |
nM |
402.73 |
O=C1Nc2ccc(Cl)cc2C(CNC(=O)c2ccccc2F)(C(F)(F)F)O1 |
Homo sapiens |
CHEMBL1045787 |
assay format |
CHEMBL452144 |
OBDepict
CH
3
N
O
CH
3
H
3
C
O
F
F
F
CH
3
N
O
N
H
|
IC50 |
= |
550.0 |
nM |
447.46 |
CCN1C(=O)C(c2c(C)[nH]n(-c3ccccc3)c2=O)(C(F)(F)F)C2=C1CC(C)(C)CC2=O |
Homo sapiens |
CHEMBL1007916 |
cell-based format |
CHEMBL583523 |
OBDepict
CH
3
O
N
H
O
O
F
F
F
O
HN
Cl
|
IC50 |
= |
558.0 |
nM |
414.77 |
COc1ccc(C(=O)NCC2(C(F)(F)F)OC(=O)Nc3ccc(Cl)cc32)cc1 |
Homo sapiens |
CHEMBL1045787 |
assay format |
CHEMBL2307419 |
OBDepict
O
N
NH
H
H
H
S
O
O
N
F
F
F
|
IC50 |
= |
560.0 |
nM |
439.46 |
O=C(Nc1ccc(C(F)(F)F)cc1)N1[C@H]2CC[C@@H]1C[C@H](S(=O)(=O)c1cccnc1)C2 |
Homo sapiens |
CHEMBL1031016 |
assay format |
CHEMBL521776 |
OBDepict
H
3
C
O
N
O
H
3
C
CH
3
O
F
F
F
H
3
C
N
O
N
H
|
IC50 |
= |
566.0 |
nM |
525.53 |
COc1ccc(N2C(=O)C(c3c(C)[nH]n(-c4ccccc4)c3=O)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1 |
Homo sapiens |
CHEMBL1007916 |
cell-based format |
CHEMBL568728 |
OBDepict
O
NH
O
N
H
F
F
F
N
O
N
N
F
|
IC50 |
= |
572.0 |
nM |
435.34 |
O=C1Nc2ccc(-n3cncn3)cc2C(CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1 |
Homo sapiens |
CHEMBL1045787 |
assay format |
CHEMBL2306677 |
OBDepict
Cl
S
O
O
H
H
N
H
NH
O
F
F
F
|
IC50 |
= |
600.0 |
nM |
472.92 |
O=C(Nc1ccc(C(F)(F)F)cc1)N1[C@H]2CC[C@@H]1C[C@H](S(=O)(=O)c1cccc(Cl)c1)C2 |
Homo sapiens |
CHEMBL1031016 |
assay format |
CHEMBL513730 |
OBDepict
CH
3
N
CH
3
O
CH
3
H
3
C
O
F
F
F
CH
3
N
O
N
H
|
IC50 |
= |
600.0 |
nM |
461.48 |
Cc1[nH]n(-c2ccccc2)c(=O)c1C1(C(F)(F)F)C(=O)N(C(C)C)C2=C1C(=O)CC(C)(C)C2 |
Homo sapiens |
CHEMBL1007916 |
cell-based format |
CHEMBL577360 |
OBDepict
H
3
C
O
S
N
O
O
H
H
H
NH
O
O
CH
3
H
3
C
|
IC50 |
= |
600.0 |
nM |
458.58 |
COc1cccc(S(=O)(=O)N2C[C@H]3CC[C@H]2[C@H](C(=O)Nc2ccc(OC(C)C)cc2)C3)c1 |
Homo sapiens |
CHEMBL1043978 |
cell-based format |
CHEMBL521763 |
OBDepict
Cl
N
O
H
3
C
CH
3
O
F
F
F
H
3
C
N
O
N
H
|
IC50 |
= |
603.0 |
nM |
529.95 |
Cc1[nH]n(-c2ccccc2)c(=O)c1C1(C(F)(F)F)C(=O)N(c2ccc(Cl)cc2)C2=C1C(=O)CC(C)(C)C2 |
Homo sapiens |
CHEMBL1007916 |
cell-based format |
CHEMBL573079 |
OBDepict
CH
3
O
S
N
O
O
H
H
H
N
H
O
O
CH
3
H
3
C
|
IC50 |
= |
610.0 |
nM |
458.58 |
COc1ccc(S(=O)(=O)N2C[C@H]3CC[C@H]2[C@H](C(=O)Nc2ccc(OC(C)C)cc2)C3)cc1 |
Homo sapiens |
CHEMBL1043978 |
cell-based format |
CHEMBL572608 |
OBDepict
H
3
C
O
CH
3
N
H
O
H
H
N
H
S
O
O
H
3
C
H
3
C
|
IC50 |
= |
620.0 |
nM |
394.54 |
CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2N(S(=O)(=O)C(C)C)C3)cc1 |
Homo sapiens |
CHEMBL1043978 |
cell-based format |
CHEMBL583461 |
OBDepict
O
N
H
O
F
F
F
F
O
NH
Cl
|
IC50 |
= |
648.0 |
nM |
416.76 |
O=C(Cc1ccc(F)cc1)NCC1(C(F)(F)F)OC(=O)Nc2ccc(Cl)cc21 |
Homo sapiens |
CHEMBL1045787 |
assay format |
CHEMBL522979 |
OBDepict
H
3
C
O
N
O
F
F
F
H
3
C
N
O
N
H
|
IC50 |
= |
704.0 |
nM |
481.47 |
Cc1[nH]n(-c2ccccc2)c(=O)c1C1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)C2 |
Homo sapiens |
CHEMBL1007916 |
cell-based format |
CHEMBL574937 |
OBDepict
CH
3
S
N
O
O
H
H
H
N
H
O
O
|
IC50 |
= |
710.0 |
nM |
442.58 |
CCCCS(=O)(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)Nc1ccc(Oc3ccccc3)cc1)C2 |
Homo sapiens |
CHEMBL1043978 |
cell-based format |
CHEMBL566965 |
OBDepict
O
HN
O
N
H
F
F
F
Cl
O
F
F
F
|
IC50 |
= |
813.0 |
nM |
452.74 |
O=C1Nc2ccc(Cl)cc2C(CNC(=O)c2ccc(C(F)(F)F)cc2)(C(F)(F)F)O1 |
Homo sapiens |
CHEMBL1045787 |
assay format |
CHEMBL578446 |
OBDepict
CH
3
S
N
O
O
H
H
H
N
H
O
|
IC50 |
= |
830.0 |
nM |
440.61 |
CCCCS(=O)(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)Nc1ccc(Cc3ccccc3)cc1)C2 |
Homo sapiens |
CHEMBL1043978 |
cell-based format |
CHEMBL2306674 |
OBDepict
H
3
C
O
S
O
O
H
H
N
H
HN
O
F
F
F
|
IC50 |
= |
840.0 |
nM |
468.5 |
COc1cccc(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Nc2ccc(C(F)(F)F)cc2)c1 |
Homo sapiens |
CHEMBL1031016 |
assay format |
CHEMBL490747 |
OBDepict
H
N
N
CH
3
O
O
N
F
F
F
O
H
3
C
CH
3
|
IC50 |
= |
879.0 |
nM |
509.53 |
Cc1[nH]n(-c2ccccc2)c(=O)c1C1(C(F)(F)F)C(=O)N(Cc2ccccc2)C2=C1C(=O)CC(C)(C)C2 |
Homo sapiens |
CHEMBL1007916 |
cell-based format |
CHEMBL572606 |
OBDepict
CH
3
S
N
O
O
N
H
O
O
CH
3
CH
3
|
IC50 |
= |
930.0 |
nM |
382.53 |
CCCCS(=O)(=O)N1CCCC(C(=O)Nc2ccc(OC(C)C)cc2)C1 |
Homo sapiens |
CHEMBL1043978 |
cell-based format |
CHEMBL2306668 |
OBDepict
Cl
N
H
N
O
H
H
H
S
O
O
|
IC50 |
= |
970.0 |
nM |
404.92 |
O=C(Nc1ccc(Cl)cc1)N1[C@H]2CC[C@@H]1C[C@H](S(=O)(=O)c1ccccc1)C2 |
Homo sapiens |
CHEMBL1031016 |
assay format |
CHEMBL569177 |
OBDepict
O
NH
O
N
H
F
F
F
Cl
O
H
3
C
|
IC50 |
= |
971.0 |
nM |
398.77 |
Cc1ccccc1C(=O)NCC1(C(F)(F)F)OC(=O)Nc2ccc(Cl)cc21 |
Homo sapiens |
CHEMBL1045787 |
assay format |