molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3763793 |
|
IC50 |
= |
11.7 |
nM |
443.55 |
O=C(Nc1ccc2c(c1)N(C(=O)Cn1cccc1)c1ccccc1CC2)OC1CCCCC1 |
Homo sapiens |
CHEMBL3767622 |
single protein format |
CHEMBL3763399 |
OBDepict
O
HN
O
N
O
N
|
IC50 |
= |
13.9 |
nM |
429.52 |
O=C(Nc1ccc2c(c1)N(C(=O)Cn1cccc1)c1ccccc1CC2)OC1CCCC1 |
Homo sapiens |
CHEMBL3767622 |
single protein format |
CHEMBL3763536 |
OBDepict
H
3
C
O
CH
3
HN
O
N
O
O
|
IC50 |
= |
19.5 |
nM |
422.53 |
CC(C)OC(=O)Nc1ccc2c(c1)N(C(=O)COC1CCCC1)c1ccccc1CC2 |
Homo sapiens |
CHEMBL3767622 |
single protein format |
CHEMBL3763664 |
OBDepict
O
N
H
O
N
O
N
|
IC50 |
= |
20.1 |
nM |
415.49 |
O=C(Nc1ccc2c(c1)N(C(=O)Cn1cccc1)c1ccccc1CC2)OC1CCC1 |
Homo sapiens |
CHEMBL3767622 |
single protein format |
CHEMBL3764750 |
OBDepict
CH
3
O
H
3
C
NH
O
N
O
N
|
IC50 |
= |
20.9 |
nM |
403.48 |
CC(C)OC(=O)Nc1ccc2c(c1)N(C(=O)Cn1cccc1)c1ccccc1CC2 |
Homo sapiens |
CHEMBL3767622 |
single protein format |
CHEMBL3765064 |
OBDepict
H
3
C
O
CH
3
NH
O
N
O
O
H
3
C
H
3
C
H
3
C
|
IC50 |
= |
21.2 |
nM |
424.54 |
CC(C)OC(=O)Nc1ccc2c(c1)N(C(=O)COCC(C)(C)C)c1ccccc1CC2 |
Homo sapiens |
CHEMBL3767622 |
single protein format |
CHEMBL3763725 |
OBDepict
O
NH
O
N
O
N
|
IC50 |
= |
22.1 |
nM |
401.47 |
O=C(Nc1ccc2c(c1)N(C(=O)Cn1cccc1)c1ccccc1CC2)OC1CC1 |
Homo sapiens |
CHEMBL3767622 |
single protein format |
CHEMBL3764168 |
OBDepict
CH
3
O
CH
3
HN
O
N
O
O
|
IC50 |
= |
24.1 |
nM |
436.55 |
CC(C)OC(=O)Nc1ccc2c(c1)N(C(=O)COC1CCCCC1)c1ccccc1CC2 |
Homo sapiens |
CHEMBL3767622 |
single protein format |
CHEMBL3764583 |
OBDepict
O
O
HN
CH
3
CH
3
CH
3
N
O
N
|
IC50 |
= |
31.9 |
nM |
417.51 |
CC(C)(C)OC(=O)Nc1ccc2c(c1)N(C(=O)Cn1cccc1)c1ccccc1CC2 |
Homo sapiens |
CHEMBL3767622 |
single protein format |
CHEMBL3765692 |
OBDepict
H
3
C
O
CH
3
N
O
N
H
O
O
CH
3
CH
3
|
IC50 |
= |
35.3 |
nM |
410.51 |
CCC(C)OCC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)C)cc21 |
Homo sapiens |
CHEMBL3767622 |
single protein format |
CHEMBL3763695 |
OBDepict
CH
3
O
HN
O
N
O
N
|
IC50 |
= |
37.0 |
nM |
389.46 |
CCOC(=O)Nc1ccc2c(c1)N(C(=O)Cn1cccc1)c1ccccc1CC2 |
Homo sapiens |
CHEMBL3767622 |
single protein format |
CHEMBL3764324 |
OBDepict
CH
3
O
CH
3
N
H
O
N
O
O
|
IC50 |
= |
37.6 |
nM |
408.5 |
CC(C)OC(=O)Nc1ccc2c(c1)N(C(=O)COC1CCC1)c1ccccc1CC2 |
Homo sapiens |
CHEMBL3767622 |
single protein format |
CHEMBL3763758 |
OBDepict
H
3
C
O
H
3
C
N
O
N
H
O
O
CH
3
CH
3
|
IC50 |
= |
60.1 |
nM |
396.49 |
CC(C)OCC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)C)cc21 |
Homo sapiens |
CHEMBL3767622 |
single protein format |
CHEMBL3765243 |
OBDepict
CH
3
O
N
H
O
N
O
O
H
3
C
H
3
C
CH
3
|
IC50 |
= |
70.8 |
nM |
396.49 |
CCOC(=O)Nc1ccc2c(c1)N(C(=O)COC(C)(C)C)c1ccccc1CC2 |
Homo sapiens |
CHEMBL3767622 |
single protein format |
CHEMBL3763979 |
OBDepict
CH
3
O
H
3
C
HN
O
N
O
O
|
IC50 |
= |
81.5 |
nM |
394.47 |
CC(C)OC(=O)Nc1ccc2c(c1)N(C(=O)COC1CC1)c1ccccc1CC2 |
Homo sapiens |
CHEMBL3767622 |
single protein format |
CHEMBL104 |
OBDepict
Cl
N
N
|
Ki |
= |
100.0 |
nM |
344.85 |
Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 |
Homo sapiens |
CHEMBL3767621 |
single protein format |
CHEMBL3763569 |
OBDepict
H
3
C
O
H
3
C
N
O
N
H
O
O
CH
3
H
3
C
CH
3
|
IC50 |
= |
116.0 |
nM |
410.51 |
CC(C)OCC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)(C)C)cc21 |
Homo sapiens |
CHEMBL3767622 |
single protein format |
CHEMBL3764215 |
OBDepict
H
3
C
N
N
O
H
3
C
N
H
O
O
CH
3
CH
3
|
IC50 |
= |
116.4 |
nM |
437.58 |
CCCN(CCC)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)C)cc21 |
Homo sapiens |
CHEMBL3767622 |
single protein format |
CHEMBL3764619 |
OBDepict
H
3
C
N
N
O
H
3
C
N
H
O
O
CH
3
H
3
C
CH
3
|
IC50 |
= |
152.9 |
nM |
451.61 |
CCCN(CCC)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)(C)C)cc21 |
Homo sapiens |
CHEMBL3767622 |
single protein format |
CHEMBL3764049 |
OBDepict
H
3
C
N
N
O
H
3
C
N
H
O
O
CH
3
|
IC50 |
= |
210.0 |
nM |
423.56 |
CCCN(CCC)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)OCC)cc21 |
Homo sapiens |
CHEMBL3767622 |
single protein format |
CHEMBL3764753 |
OBDepict
O
O
HN
H
3
C
CH
3
H
3
C
N
O
N
|
IC50 |
= |
216.2 |
nM |
435.57 |
CC(C)(C)OC(=O)Nc1ccc2c(c1)N(C(=O)CN1CCCCC1)c1ccccc1CC2 |
Homo sapiens |
CHEMBL3767622 |
single protein format |
CHEMBL3765016 |
OBDepict
CH
3
O
HN
O
N
O
N
O
|
IC50 |
= |
235.0 |
nM |
409.49 |
CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN1CCOCC1)c1ccccc1CC2 |
Homo sapiens |
CHEMBL3767622 |
single protein format |
CHEMBL3763803 |
OBDepict
CH
3
O
CH
3
HN
O
N
O
N
|
IC50 |
= |
249.0 |
nM |
421.54 |
CC(C)OC(=O)Nc1ccc2c(c1)N(C(=O)CN1CCCCC1)c1ccccc1CC2 |
Homo sapiens |
CHEMBL3767622 |
single protein format |
CHEMBL3765163 |
OBDepict
H
3
C
O
HN
O
N
O
N
O
|
IC50 |
= |
288.0 |
nM |
409.49 |
COC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1CC2 |
Homo sapiens |
CHEMBL3767622 |
single protein format |
CHEMBL3765146 |
OBDepict
CH
3
O
HN
O
N
O
N
O
|
IC50 |
= |
320.0 |
nM |
423.51 |
CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1CC2 |
Homo sapiens |
CHEMBL3767622 |
single protein format |
CHEMBL481537 |
OBDepict
CH
3
N
CH
3
CH
3
O
N
Cl
|
IC50 |
= |
390.0 |
nM |
352.87 |
CCC(C)N(C)C(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1 |
Homo sapiens |
CHEMBL3767622 |
single protein format |
CHEMBL3763550 |
OBDepict
CH
3
O
HN
O
N
O
N
|
IC50 |
= |
620.0 |
nM |
407.51 |
CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN1CCCCC1)c1ccccc1CC2 |
Homo sapiens |
CHEMBL3767622 |
single protein format |
CHEMBL3764651 |
OBDepict
H
3
C
N
H
3
C
N
O
N
H
O
O
CH
3
CH
3
|
IC50 |
= |
680.0 |
nM |
409.53 |
CCN(CC)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)C)cc21 |
Homo sapiens |
CHEMBL3767622 |
single protein format |
CHEMBL1622371 |
OBDepict
CH
3
O
NH
O
N
O
N
H
3
C
H
3
C
|
IC50 |
= |
687.0 |
nM |
395.5 |
CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN(CC)CC)c1ccccc1CC2 |
Homo sapiens |
CHEMBL3767622 |
single protein format |
CHEMBL104 |
OBDepict
Cl
N
N
|
IC50 |
= |
690.0 |
nM |
344.85 |
Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 |
Homo sapiens |
CHEMBL3767625 |
cell-based format |