molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4785914 |
|
IC50 |
= |
0.2 |
nM |
528.48 |
CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)N[C@@H](C)COC(F)(F)F)CC3)nc12 |
Homo sapiens |
CHEMBL4731219 |
cell-based format |
CHEMBL4796521 |
OBDepict
H
3
C
N
H
O
S
N
N
F
F
F
O
NH
O
O
F
F
F
|
IC50 |
= |
0.4 |
nM |
514.45 |
CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)NCCOC(F)(F)F)CC3)nc12 |
Homo sapiens |
CHEMBL4731219 |
cell-based format |
CHEMBL4750073 |
OBDepict
CH
3
N
H
O
S
N
N
F
F
F
O
N
H
O
H
3
C
H
|
IC50 |
= |
0.9 |
nM |
470.52 |
CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)N[C@@H](C)C4CC4)CC3)nc12 |
Homo sapiens |
CHEMBL4731219 |
cell-based format |
CHEMBL4787939 |
OBDepict
CH
3
HN
CH
3
H
O
O
N
N
S
F
F
F
NH
O
H
3
C
|
IC50 |
= |
0.9 |
nM |
458.51 |
CC[C@H](C)NC(=O)OC1CCN(c2cc(C(F)(F)F)c3scc(C(=O)NC)c3n2)CC1 |
Homo sapiens |
CHEMBL4731219 |
cell-based format |
CHEMBL4776963 |
OBDepict
CH
3
N
H
O
S
N
N
F
F
F
O
N
H
O
|
IC50 |
= |
1.0 |
nM |
456.49 |
CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)NCC4CC4)CC3)nc12 |
Homo sapiens |
CHEMBL4731219 |
cell-based format |
CHEMBL4750432 |
OBDepict
CH
3
HN
O
S
N
N
F
F
F
O
N
O
O
F
F
F
|
IC50 |
= |
1.7 |
nM |
526.46 |
CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)N4CC(OC(F)(F)F)C4)CC3)nc12 |
Homo sapiens |
CHEMBL4731219 |
cell-based format |
CHEMBL4765010 |
OBDepict
H
3
C
N
H
O
S
N
N
F
F
F
O
NH
O
CH
3
H
3
C
|
IC50 |
= |
2.0 |
nM |
444.48 |
CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)NC(C)C)CC3)nc12 |
Homo sapiens |
CHEMBL4731219 |
cell-based format |
CHEMBL4755797 |
OBDepict
CH
3
N
H
O
S
N
N
F
F
F
N
H
O
O
|
IC50 |
= |
18.0 |
nM |
456.49 |
CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(NC(=O)OCC4CC4)CC3)nc12 |
Homo sapiens |
CHEMBL4731219 |
cell-based format |
CHEMBL4757982 |
OBDepict
H
3
C
NH
O
S
N
N
F
F
F
N
H
O
O
|
IC50 |
= |
48.0 |
nM |
428.44 |
CNC(=O)c1csc2c(C(F)(F)F)cc(N3CC(NC(=O)OCC4CC4)C3)nc12 |
Homo sapiens |
CHEMBL4731219 |
cell-based format |
CHEMBL4760937 |
OBDepict
H
3
C
N
H
O
S
N
N
F
F
F
N
NH
O
CH
3
H
3
C
|
IC50 |
= |
67.0 |
nM |
443.5 |
CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCN(CC(=O)NC(C)C)CC3)nc12 |
Homo sapiens |
CHEMBL4731219 |
cell-based format |
CHEMBL4795937 |
OBDepict
H
3
C
O
S
N
N
F
F
F
N
NH
O
CH
3
H
3
C
|
IC50 |
= |
97.0 |
nM |
442.51 |
CCC(=O)c1csc2c(C(F)(F)F)cc(N3CCN(CC(=O)NC(C)C)CC3)nc12 |
Homo sapiens |
CHEMBL4731219 |
cell-based format |
CHEMBL4799472 |
OBDepict
CH
3
N
H
O
S
N
N
F
F
F
N
CH
3
HN
O
|
IC50 |
= |
170.0 |
nM |
455.51 |
CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCN(C(C)C(=O)NC4CC4)CC3)nc12 |
Homo sapiens |
CHEMBL4731219 |
cell-based format |
CHEMBL4797076 |
OBDepict
CH
3
N
H
O
S
N
N
F
F
F
N
OH
O
CH
3
CH
3
CH
3
|
IC50 |
= |
190.0 |
nM |
474.55 |
CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCN(CC(O)COC(C)(C)C)CC3)nc12 |
Homo sapiens |
CHEMBL4731219 |
cell-based format |
CHEMBL4764180 |
OBDepict
H
3
C
NH
O
S
N
N
F
F
F
O
N
H
O
|
IC50 |
= |
200.0 |
nM |
428.44 |
CNC(=O)c1csc2c(C(F)(F)F)cc(N3CC(OC(=O)NCC4CC4)C3)nc12 |
Homo sapiens |
CHEMBL4731219 |
cell-based format |
CHEMBL4751927 |
OBDepict
H
3
C
N
H
O
S
N
N
F
F
F
N
O
CH
3
H
3
C
|
IC50 |
= |
330.0 |
nM |
430.5 |
CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCN(CCOC(C)C)CC3)nc12 |
Homo sapiens |
CHEMBL4731219 |
cell-based format |
CHEMBL4799203 |
OBDepict
H
3
C
N
H
O
S
N
N
F
F
F
O
NH
O
N
|
IC50 |
= |
510.0 |
nM |
499.56 |
CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)NCCN4CCCC4)CC3)nc12 |
Homo sapiens |
CHEMBL4731219 |
cell-based format |
CHEMBL4762406 |
OBDepict
CH
3
N
H
O
S
N
N
F
F
F
O
N
H
O
|
IC50 |
= |
610.0 |
nM |
442.46 |
CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)NCC4CC4)C3)nc12 |
Homo sapiens |
CHEMBL4731219 |
cell-based format |
CHEMBL4791074 |
OBDepict
H
3
C
N
H
O
S
N
N
F
F
F
N
O
CH
3
H
3
C
CH
3
|
IC50 |
= |
610.0 |
nM |
442.51 |
CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCN(CC(=O)C(C)(C)C)CC3)nc12 |
Homo sapiens |
CHEMBL4731219 |
cell-based format |
CHEMBL4747085 |
OBDepict
H
3
C
HN
CH
3
O
N
N
N
S
F
F
F
N
O
|
IC50 |
= |
640.0 |
nM |
469.53 |
CC(C)NC(=O)CN1CCN(c2cc(C(F)(F)F)c3scc(C(=O)N4CCC4)c3n2)CC1 |
Homo sapiens |
CHEMBL4731219 |
cell-based format |
CHEMBL4745037 |
OBDepict
H
3
C
N
H
O
S
N
N
F
F
F
N
O
O
CH
3
H
3
C
|
IC50 |
= |
660.0 |
nM |
444.48 |
CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCN(C(=O)COC(C)C)CC3)nc12 |
Homo sapiens |
CHEMBL4731219 |
cell-based format |
CHEMBL4752928 |
OBDepict
CH
3
HN
O
S
N
N
F
F
F
O
N
O
N
CH
3
CH
3
|
IC50 |
= |
980.0 |
nM |
499.56 |
CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(OC(=O)N4CC(CN(C)C)C4)CC3)nc12 |
Homo sapiens |
CHEMBL4731219 |
cell-based format |