molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL2147296 |
|
IC50 |
= |
0.56 |
nM |
570.69 |
CNC(=O)[C@@H](NC(=O)c1ccc2nc(NC(=O)c3ccccc3-c3ccc(C(C)(C)C)cc3)ccc2c1)c1ccccc1 |
Homo sapiens |
CHEMBL2150039 |
cell-based format |
CHEMBL474892 |
OBDepict
O
N
H
CH
3
H
N
H
F
F
F
N
S
|
IC50 |
= |
0.6 |
nM |
507.58 |
Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H](NCc2nccs2)C3)c1-c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL1029072 |
cell-based format |
CHEMBL2147301 |
OBDepict
CH
3
N
H
O
N
H
H
O
N
N
H
O
O
CH
3
H
3
C
|
IC50 |
= |
0.63 |
nM |
572.67 |
CNC(=O)[C@@H](NC(=O)c1ccc2nc(NC(=O)c3ccccc3-c3ccc(OC(C)C)cc3)ccc2c1)c1ccccc1 |
Homo sapiens |
CHEMBL2150039 |
cell-based format |
CHEMBL2147280 |
OBDepict
NH
2
O
N
H
H
O
N
CH
3
HN
O
F
F
F
|
IC50 |
= |
1.5 |
nM |
570.57 |
Cn1c(C(=O)N[C@H](C(N)=O)c2ccccc2)cc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc21 |
Homo sapiens |
CHEMBL2150039 |
cell-based format |
CHEMBL382891 |
OBDepict
CH
3
N
H
O
N
H
H
O
CH
3
N
H
O
F
F
F
|
IC50 |
= |
1.64 |
nM |
573.62 |
CCCNC(=O)[C@@H](NC(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c(C)c1)c1ccccc1 |
Homo sapiens |
CHEMBL866306 |
microsome format |
CHEMBL378844 |
OBDepict
O
HN
N
H
H
O
H
3
C
N
H
O
F
F
F
|
IC50 |
= |
1.78 |
nM |
585.63 |
Cc1cc(C(=O)N[C@H](C(=O)NCC2CC2)c2ccccc2)ccc1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL866306 |
microsome format |
CHEMBL2147279 |
OBDepict
H
3
C
N
H
O
N
H
H
O
N
H
3
C
N
H
O
F
F
F
|
IC50 |
= |
1.8 |
nM |
584.6 |
CNC(=O)[C@@H](NC(=O)c1cc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2n1C)c1ccccc1 |
Homo sapiens |
CHEMBL2150039 |
cell-based format |
CHEMBL377951 |
OBDepict
H
3
C
N
H
O
N
H
H
O
O
NH
H
3
C
O
F
F
F
|
IC50 |
= |
2.0 |
nM |
589.61 |
CCCNC(=O)[C@@H](NC(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c(OC)c1)c1ccccc1 |
Homo sapiens |
CHEMBL866306 |
microsome format |
CHEMBL207443 |
OBDepict
CH
3
N
H
O
N
H
H
O
N
N
H
O
F
F
F
|
IC50 |
= |
2.53 |
nM |
560.58 |
CCCNC(=O)[C@@H](NC(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)nc1)c1ccccc1 |
Homo sapiens |
CHEMBL866306 |
microsome format |
CHEMBL209508 |
OBDepict
O
N
N
H
H
O
CH
3
N
H
O
F
F
F
|
IC50 |
= |
3.37 |
nM |
585.63 |
Cc1cc(C(=O)N[C@H](C(=O)N2CCCC2)c2ccccc2)ccc1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL866306 |
microsome format |
CHEMBL382405 |
OBDepict
CH
3
N
H
O
HN
H
O
N
O
F
F
F
|
IC50 |
= |
5.53 |
nM |
585.63 |
CCCNC(=O)[C@@H](NC(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccccc1 |
Homo sapiens |
CHEMBL866306 |
microsome format |
CHEMBL377095 |
OBDepict
O
N
N
H
H
O
N
H
O
F
F
F
|
IC50 |
= |
5.67 |
nM |
599.65 |
O=C(N[C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 |
Homo sapiens |
CHEMBL866306 |
microsome format |
CHEMBL2403023 |
OBDepict
H
3
C
N
O
CH
3
N
F
NH
O
N
|
IC50 |
= |
7.0 |
nM |
564.71 |
CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 |
Homo sapiens |
CHEMBL2404393 |
single protein format |
CHEMBL383309 |
OBDepict
O
N
N
H
H
O
N
H
O
F
F
F
|
IC50 |
= |
8.15 |
nM |
585.63 |
O=C(N[C@H](C(=O)N1CCCC1)c1ccccc1)c1ccc(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 |
Homo sapiens |
CHEMBL866306 |
microsome format |
CHEMBL376992 |
OBDepict
CH
3
N
O
CH
3
N
H
H
O
N
O
F
F
F
|
IC50 |
= |
9.43 |
nM |
579.66 |
CCCN(CC)C(=O)[C@@H](NC(=O)C1CCN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 |
Homo sapiens |
CHEMBL866306 |
microsome format |
CHEMBL2402905 |
OBDepict
CH
3
HN
O
N
F
N
H
O
|
IC50 |
= |
13.0 |
nM |
535.66 |
CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2F)CC1 |
Homo sapiens |
CHEMBL2404393 |
single protein format |
CHEMBL263215 |
OBDepict
CH
3
N
O
CH
3
N
H
H
O
N
HN
O
F
F
F
|
IC50 |
= |
13.29 |
nM |
588.63 |
CCCN(CC)C(=O)[C@@H](NC(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)nc1)c1ccccc1 |
Homo sapiens |
CHEMBL866306 |
microsome format |
CHEMBL143626 |
OBDepict
O
N
H
CH
3
F
F
F
N
H
S
O
O
S
|
IC50 |
= |
14.0 |
nM |
570.66 |
Cc1cccc(C(=O)Nc2ccc3c(c2)CC(CNS(=O)(=O)c2cccs2)C3)c1-c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL208205 |
OBDepict
O
N
N
H
H
O
N
O
F
F
F
|
IC50 |
= |
14.9 |
nM |
597.64 |
O=C(N[C@H](C(=O)N1CCCC1)c1ccccc1)c1ccc2c(c1)CCN2C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL866306 |
microsome format |
CHEMBL245300 |
OBDepict
CH
3
N
CH
3
O
N
H
H
O
N
N
H
O
F
F
F
|
IC50 |
= |
16.93 |
nM |
588.63 |
CCCCN(C)C(=O)[C@@H](NC(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)nc1)c1ccccc1 |
Homo sapiens |
CHEMBL866306 |
microsome format |
CHEMBL207462 |
OBDepict
O
HN
N
H
H
O
N
H
O
F
F
F
|
IC50 |
= |
16.94 |
nM |
585.63 |
O=C(N[C@H](C(=O)NCC1CC1)c1ccccc1)c1ccc(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 |
Homo sapiens |
CHEMBL866306 |
microsome format |
CHEMBL379843 |
OBDepict
O
N
N
H
H
O
N
N
H
O
F
F
F
|
IC50 |
= |
17.38 |
nM |
572.59 |
O=C(N[C@H](C(=O)N1CCCC1)c1ccccc1)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)nc1 |
Homo sapiens |
CHEMBL866306 |
microsome format |
CHEMBL142975 |
OBDepict
CH
3
O
N
H
O
N
H
O
CH
3
F
F
F
|
IC50 |
= |
20.0 |
nM |
496.53 |
COC(=O)NC1CCc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2CC1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL139834 |
OBDepict
CH
3
H
3
C
N
H
O
F
F
F
H
N
H
S
O
O
S
|
IC50 |
= |
20.0 |
nM |
570.66 |
Cc1cc(C)c(-c2ccc(C(F)(F)F)cc2)c(C(=O)Nc2ccc3c(c2)C[C@H](NS(=O)(=O)c2cccs2)C3)c1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL341974 |
OBDepict
CH
3
O
N
H
O
N
H
O
H
3
C
CH
3
F
F
F
|
IC50 |
= |
20.0 |
nM |
510.56 |
COC(=O)NC1CCc2ccc(NC(=O)c3cc(C)cc(C)c3-c3ccc(C(F)(F)F)cc3)cc2CC1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL209987 |
OBDepict
CH
3
N
CH
3
O
N
H
H
O
N
O
F
F
F
|
IC50 |
= |
23.56 |
nM |
579.66 |
CCCCN(C)C(=O)[C@@H](NC(=O)C1CCN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 |
Homo sapiens |
CHEMBL866306 |
microsome format |
CHEMBL142332 |
OBDepict
H
3
C
O
NH
O
N
H
O
CH
3
F
F
F
|
IC50 |
= |
24.0 |
nM |
482.5 |
COC(=O)NCC1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL2402907 |
OBDepict
CH
3
NH
O
N
F
NH
O
S
|
IC50 |
= |
25.0 |
nM |
541.69 |
CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3-c3ccsc3)cc2F)CC1 |
Homo sapiens |
CHEMBL2404393 |
single protein format |
CHEMBL379475 |
OBDepict
O
N
N
H
H
O
N
N
H
O
F
F
F
|
IC50 |
= |
29.51 |
nM |
586.61 |
O=C(N[C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)nc1 |
Homo sapiens |
CHEMBL866306 |
microsome format |
CHEMBL2403029 |
OBDepict
CH
3
HN
O
N
F
HN
O
|
IC50 |
= |
33.0 |
nM |
535.66 |
CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(C(=O)Nc3ccccc3-c3ccccc3)cc2F)CC1 |
Homo sapiens |
CHEMBL2404393 |
single protein format |
CHEMBL359428 |
OBDepict
O
N
H
H
3
C
H
N
H
F
F
F
S
O
O
CH
3
|
IC50 |
= |
34.0 |
nM |
488.53 |
Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H](NS(C)(=O)=O)C3)c1-c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL378263 |
OBDepict
O
NH
N
H
H
O
N
N
H
O
F
F
F
|
IC50 |
= |
35.4 |
nM |
572.59 |
O=C(N[C@H](C(=O)NCC1CC1)c1ccccc1)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)nc1 |
Homo sapiens |
CHEMBL866306 |
microsome format |
CHEMBL142733 |
OBDepict
CH
3
O
N
H
O
N
H
O
H
3
C
CH
3
F
F
F
|
IC50 |
= |
40.0 |
nM |
496.53 |
COC(=O)NCC1Cc2ccc(NC(=O)c3cc(C)cc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL422295 |
OBDepict
CH
3
O
N
O
N
H
N
H
O
CH
3
F
F
F
|
IC50 |
= |
40.0 |
nM |
537.58 |
COC(=O)N1CCN([C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)CC1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL336873 |
OBDepict
O
N
H
H
3
C
H
N
H
F
F
F
S
O
O
S
|
IC50 |
= |
50.0 |
nM |
556.63 |
Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H](NS(=O)(=O)c2cccs2)C3)c1-c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL142928 |
OBDepict
H
3
C
O
N
H
O
H
N
H
O
F
F
F
F
F
F
|
IC50 |
= |
50.0 |
nM |
522.44 |
COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cccc(C(F)(F)F)c3-c3ccc(C(F)(F)F)cc3)cc2C1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL356091 |
OBDepict
F
CH
3
N
H
O
HN
S
O
O
S
|
IC50 |
= |
50.0 |
nM |
506.62 |
Cc1cccc(C(=O)Nc2ccc3c(c2)CC(NS(=O)(=O)c2cccs2)C3)c1-c1ccc(F)cc1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL377227 |
OBDepict
CH
3
N
H
O
N
H
H
O
HN
O
F
F
F
|
IC50 |
= |
61.15 |
nM |
573.62 |
CCCNC(=O)[C@@H](NC(=O)c1ccc(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1)c1ccccc1 |
Homo sapiens |
CHEMBL866306 |
microsome format |
CHEMBL139992 |
OBDepict
CH
3
O
N
H
O
H
N
H
O
F
F
F
|
IC50 |
= |
68.0 |
nM |
454.45 |
COC(=O)N[C@H]1Cc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2C1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL207213 |
OBDepict
O
N
N
H
H
O
O
N
N
H
O
F
F
F
|
IC50 |
= |
69.39 |
nM |
588.59 |
O=C(N[C@H](C(=O)N1CCOCC1)c1ccccc1)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)nc1 |
Homo sapiens |
CHEMBL866306 |
microsome format |
CHEMBL210496 |
OBDepict
O
N
H
H
N
N
H
O
O
F
F
F
|
IC50 |
= |
69.52 |
nM |
599.65 |
O=C(N[C@H](C(=O)NCc1ccccc1)c1ccccc1)C1CCN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CC1 |
Homo sapiens |
CHEMBL866306 |
microsome format |
CHEMBL143284 |
OBDepict
CH
3
O
N
H
O
H
N
H
O
H
3
C
CH
3
F
F
F
|
IC50 |
= |
70.0 |
nM |
482.5 |
COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cc(C)cc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL142450 |
OBDepict
H
3
C
O
N
H
O
H
N
H
O
CH
3
F
F
F
|
IC50 |
= |
70.0 |
nM |
468.48 |
COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL344801 |
OBDepict
CH
3
O
N
H
O
N
H
O
CH
3
F
F
F
|
IC50 |
= |
70.0 |
nM |
496.53 |
COC(=O)NCCC1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL141881 |
OBDepict
CH
3
O
N
H
O
Cl
HN
S
O
O
H
3
C
|
IC50 |
= |
70.0 |
nM |
470.98 |
COc1cccc(C(=O)Nc2ccc3c(c2)CC(NS(C)(=O)=O)C3)c1-c1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL423915 |
OBDepict
H
3
C
O
N
H
O
H
N
H
O
CH
3
F
F
F
|
IC50 |
= |
70.0 |
nM |
468.48 |
COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL343874 |
OBDepict
O
N
H
CH
3
F
F
F
HN
S
O
O
H
3
C
|
IC50 |
= |
80.0 |
nM |
516.59 |
Cc1cccc(C(=O)Nc2ccc3c(c2)CCC(NS(C)(=O)=O)CC3)c1-c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL143610 |
OBDepict
CH
3
N
H
O
N
H
O
F
F
F
|
IC50 |
= |
80.0 |
nM |
438.45 |
CC(=O)NC1Cc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2C1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL143647 |
OBDepict
O
N
N
H
H
3
C
CH
3
N
H
O
F
F
F
|
IC50 |
= |
80.0 |
nM |
467.49 |
CN(C)C(=O)NC1Cc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2C1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL356126 |
OBDepict
CH
3
O
N
H
O
N
H
O
CH
3
Cl
|
IC50 |
= |
80.0 |
nM |
462.98 |
COC(=O)NC1CCc2ccc(NC(=O)c3cccc(C)c3-c3ccc(Cl)cc3)cc2CC1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL358141 |
OBDepict
CH
3
O
N
H
O
H
N
H
O
H
3
C
CH
3
F
F
F
|
IC50 |
= |
90.0 |
nM |
482.5 |
COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3cc(C)cc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL141014 |
OBDepict
Cl
CH
3
NH
O
N
H
S
O
O
CH
3
|
IC50 |
= |
90.0 |
nM |
483.03 |
Cc1cccc(C(=O)Nc2ccc3c(c2)CCC(NS(C)(=O)=O)CC3)c1-c1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL344439 |
OBDepict
CH
3
CH
3
N
H
O
HN
S
O
O
|
IC50 |
= |
93.0 |
nM |
496.63 |
Cc1ccc(-c2c(C)cccc2C(=O)Nc2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)cc1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL208099 |
OBDepict
O
NH
H
N
N
O
O
F
F
F
|
IC50 |
= |
95.89 |
nM |
577.65 |
O=C(N[C@H](C(=O)N1CCCCC1)c1ccccc1)C1CCN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CC1 |
Homo sapiens |
CHEMBL866306 |
microsome format |
CHEMBL209026 |
OBDepict
CH
3
N
H
O
N
H
H
O
N
O
F
F
F
|
IC50 |
= |
96.71 |
nM |
551.61 |
CCCNC(=O)[C@@H](NC(=O)C1CCN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 |
Homo sapiens |
CHEMBL866306 |
microsome format |
CHEMBL142972 |
OBDepict
O
N
H
CH
3
H
N
H
F
F
F
N
|
IC50 |
= |
100.0 |
nM |
501.55 |
Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccccn2)C3)c1-c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL358538 |
OBDepict
CH
3
O
N
H
O
N
H
O
CH
3
Cl
|
IC50 |
= |
100.0 |
nM |
448.95 |
COC(=O)NCC1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(Cl)cc3)cc2C1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL412375 |
OBDepict
Cl
CH
3
N
H
O
HN
S
O
O
H
3
C
|
IC50 |
= |
100.0 |
nM |
454.98 |
Cc1cccc(C(=O)Nc2ccc3c(c2)CC(NS(C)(=O)=O)C3)c1-c1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL140754 |
OBDepict
Cl
CH
3
N
H
O
HN
S
O
O
|
IC50 |
= |
100.0 |
nM |
517.05 |
Cc1cccc(C(=O)Nc2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)c1-c1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL357886 |
OBDepict
O
N
H
HN
F
F
F
S
O
O
|
IC50 |
= |
105.0 |
nM |
536.58 |
O=C(Nc1ccc2c(c1)CC(NS(=O)(=O)c1ccccc1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL142731 |
OBDepict
CH
3
O
N
H
O
H
N
H
O
F
F
F
|
IC50 |
= |
110.0 |
nM |
454.45 |
COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2C1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL343406 |
OBDepict
H
3
C
O
N
H
O
Cl
HN
S
O
O
|
IC50 |
= |
110.0 |
nM |
533.05 |
COc1cccc(C(=O)Nc2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)c1-c1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL141036 |
OBDepict
N
CH
3
N
H
O
HN
S
O
O
|
IC50 |
= |
120.0 |
nM |
507.62 |
Cc1cccc(C(=O)Nc2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)c1-c1ccc(C#N)cc1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL423194 |
OBDepict
Cl
CH
3
N
H
O
HN
S
O
O
S
|
IC50 |
= |
120.0 |
nM |
523.08 |
Cc1cccc(C(=O)Nc2ccc3c(c2)CC(NS(=O)(=O)c2cccs2)C3)c1-c1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL140786 |
OBDepict
O
N
H
HN
F
F
F
S
O
O
CH
3
|
IC50 |
= |
120.0 |
nM |
474.5 |
CS(=O)(=O)NC1Cc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2C1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL343837 |
OBDepict
CH
3
O
N
H
O
N
H
O
H
3
C
CH
3
Cl
|
IC50 |
= |
120.0 |
nM |
448.95 |
COC(=O)NC1Cc2ccc(NC(=O)c3cc(C)cc(C)c3-c3ccc(Cl)cc3)cc2C1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL142272 |
OBDepict
O
N
H
CH
3
F
F
F
HN
S
O
O
S
|
IC50 |
= |
140.0 |
nM |
584.69 |
Cc1cccc(C(=O)Nc2ccc3c(c2)CCC(NS(=O)(=O)c2cccs2)CC3)c1-c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL474503 |
OBDepict
O
N
H
CH
3
H
N
H
F
F
F
S
|
IC50 |
= |
140.0 |
nM |
506.59 |
Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2cccs2)C3)c1-c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL1029072 |
cell-based format |
CHEMBL474893 |
OBDepict
O
N
H
CH
3
H
N
H
F
F
F
N
S
|
IC50 |
= |
140.0 |
nM |
507.58 |
Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2nccs2)C3)c1-c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL1029072 |
cell-based format |
CHEMBL514764 |
OBDepict
O
N
H
CH
3
H
N
H
F
F
F
O
|
IC50 |
= |
150.0 |
nM |
490.53 |
Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccco2)C3)c1-c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL1029072 |
cell-based format |
CHEMBL359248 |
OBDepict
O
N
H
H
3
C
F
F
F
HN
S
O
O
H
3
C
|
IC50 |
= |
150.0 |
nM |
502.56 |
Cc1cccc(C(=O)Nc2ccc3c(c2)CC(CNS(C)(=O)=O)C3)c1-c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL143821 |
OBDepict
F
CH
3
N
H
O
HN
S
O
O
H
3
C
|
IC50 |
= |
170.0 |
nM |
438.52 |
Cc1cccc(C(=O)Nc2ccc3c(c2)CC(NS(C)(=O)=O)C3)c1-c1ccc(F)cc1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL143514 |
OBDepict
CH
3
O
N
H
O
H
N
H
O
H
3
C
F
F
F
|
IC50 |
= |
170.0 |
nM |
468.48 |
COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cc(C)ccc3-c3ccc(C(F)(F)F)cc3)cc2C1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL474301 |
OBDepict
O
N
H
CH
3
H
N
H
F
F
F
H
3
C
|
IC50 |
= |
180.0 |
nM |
514.59 |
Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NC(C)c2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL1029072 |
cell-based format |
CHEMBL344849 |
OBDepict
CH
3
H
3
C
N
H
O
F
F
F
H
N
H
S
O
O
S
|
IC50 |
= |
180.0 |
nM |
570.66 |
Cc1cc(C)c(-c2ccc(C(F)(F)F)cc2)c(C(=O)Nc2ccc3c(c2)C[C@@H](NS(=O)(=O)c2cccs2)C3)c1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL142763 |
OBDepict
O
N
H
H
3
C
H
N
H
F
F
F
S
O
O
CH
3
|
IC50 |
= |
204.0 |
nM |
488.53 |
Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NS(C)(=O)=O)C3)c1-c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL2402906 |
OBDepict
CH
3
HN
O
N
F
N
H
O
N
|
IC50 |
= |
210.0 |
nM |
536.65 |
CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 |
Homo sapiens |
CHEMBL2404393 |
single protein format |
CHEMBL344814 |
OBDepict
F
CH
3
N
H
O
HN
S
O
O
|
IC50 |
= |
240.0 |
nM |
500.6 |
Cc1cccc(C(=O)Nc2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)c1-c1ccc(F)cc1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL356937 |
OBDepict
H
3
C
O
N
H
O
H
N
H
O
F
F
F
F
F
F
|
IC50 |
= |
410.0 |
nM |
522.45 |
COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cc(C(F)(F)F)ccc3-c3ccc(C(F)(F)F)cc3)cc2C1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL356310 |
OBDepict
O
N
H
CH
3
H
N
H
F
F
F
N
|
IC50 |
= |
410.0 |
nM |
501.55 |
Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H](NCc2ccccn2)C3)c1-c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL142616 |
OBDepict
Cl
H
3
C
N
H
O
N
H
S
O
O
CH
3
|
IC50 |
= |
500.0 |
nM |
469.01 |
Cc1cccc(C(=O)Nc2ccc3c(c2)CC(CNS(C)(=O)=O)C3)c1-c1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL434703 |
OBDepict
O
N
H
H
NH
F
F
F
S
O
O
|
IC50 |
= |
650.0 |
nM |
536.58 |
O=C(Nc1ccc2c(c1)C[C@@H](NS(=O)(=O)c1ccccc1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL143535 |
OBDepict
O
N
H
HN
S
O
O
|
IC50 |
= |
710.0 |
nM |
468.58 |
O=C(Nc1ccc2c(c1)CC(NS(=O)(=O)c1ccccc1)C2)c1ccccc1-c1ccccc1 |
Homo sapiens |
CHEMBL712306 |
single protein format |
CHEMBL1823342 |
OBDepict
H
3
C
N
O
CH
3
N
N
F
NH
O
N
|
IC50 |
= |
710.0 |
nM |
565.69 |
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 |
Homo sapiens |
CHEMBL2404390 |
single protein format |
CHEMBL358768 |
OBDepict
CH
3
O
N
O
N
H
N
H
O
CH
3
F
F
F
|
IC50 |
= |
1000.0 |
nM |
537.58 |
COC(=O)N1CCN([C@@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)CC1 |
Homo sapiens |
CHEMBL712306 |
single protein format |