molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4763955 |
|
IC50 |
= |
16.0 |
nM |
406.37 |
C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2ccnc(C3CC3)c2)no1 |
Homo sapiens |
CHEMBL4714778 |
cell-based format |
CHEMBL4788669 |
OBDepict
CH
3
O
N
N
N
O
N
H
H
3
C
H
O
N
CH
3
N
F
F
F
|
IC50 |
= |
27.0 |
nM |
396.33 |
COc1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ccn1 |
Homo sapiens |
CHEMBL4714778 |
cell-based format |
CHEMBL4741793 |
OBDepict
H
3
C
N
N
N
H
O
F
F
F
CH
3
H
O
N
N
N
F
F
F
|
IC50 |
= |
40.0 |
nM |
434.3 |
C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2ccnc(C(F)(F)F)c2)no1 |
Homo sapiens |
CHEMBL4714778 |
cell-based format |
CHEMBL4754084 |
OBDepict
F
F
N
N
N
O
N
H
CH
3
H
O
N
H
3
C
N
F
F
F
|
IC50 |
= |
61.0 |
nM |
416.31 |
C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2ccnc(C(F)F)c2)no1 |
Homo sapiens |
CHEMBL4714778 |
cell-based format |
CHEMBL4783741 |
OBDepict
F
N
N
O
N
H
CH
3
H
O
N
H
3
C
N
F
F
F
|
IC50 |
= |
136.0 |
nM |
383.31 |
C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cccc(F)c2)no1 |
Homo sapiens |
CHEMBL4714778 |
cell-based format |
CHEMBL4786255 |
OBDepict
CH
3
N
N
N
O
N
H
H
3
C
H
O
N
CH
3
N
F
F
F
|
IC50 |
= |
165.0 |
nM |
380.33 |
Cc1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ccn1 |
Homo sapiens |
CHEMBL4714778 |
cell-based format |
CHEMBL4793291 |
OBDepict
CH
3
N
N
O
N
H
H
3
C
H
O
N
H
3
C
N
|
IC50 |
= |
167.0 |
nM |
351.41 |
Cc1cccc(-c2noc([C@H](C)NC(=O)c3cc(C4CC4)nn3C)n2)c1 |
Homo sapiens |
CHEMBL4714778 |
cell-based format |
CHEMBL4793279 |
OBDepict
CH
3
NH
N
N
N
O
N
H
H
3
C
H
O
N
CH
3
N
F
F
F
|
IC50 |
= |
195.0 |
nM |
395.35 |
CNc1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ccn1 |
Homo sapiens |
CHEMBL4714778 |
cell-based format |
CHEMBL4750925 |
OBDepict
H
3
C
O
N
N
N
O
N
H
H
3
C
H
O
N
CH
3
N
F
F
F
|
IC50 |
= |
322.0 |
nM |
410.36 |
COCc1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ccn1 |
Homo sapiens |
CHEMBL4714778 |
cell-based format |
CHEMBL4783466 |
OBDepict
CH
3
N
N
H
3
C
N
H
O
CH
3
H
O
N
N
H
3
C
|
IC50 |
= |
335.0 |
nM |
339.4 |
CCc1cc(C(=O)N[C@@H](C)c2nc(-c3cccc(C)c3)no2)n(C)n1 |
Homo sapiens |
CHEMBL4714778 |
cell-based format |
CHEMBL4795194 |
OBDepict
H
3
C
N
CH
3
N
N
N
O
N
H
CH
3
H
O
N
H
3
C
N
F
F
F
|
IC50 |
= |
454.0 |
nM |
409.37 |
C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2ccnc(N(C)C)c2)no1 |
Homo sapiens |
CHEMBL4714778 |
cell-based format |
CHEMBL4743249 |
OBDepict
CH
3
O
N
CH
3
N
N
O
N
H
H
3
C
H
O
N
CH
3
N
F
F
F
|
IC50 |
= |
505.0 |
nM |
410.36 |
COc1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)cc(C)n1 |
Homo sapiens |
CHEMBL4714778 |
cell-based format |
CHEMBL4781553 |
OBDepict
O
N
H
N
CH
3
N
H
3
C
H
O
N
F
F
F
N
N
N
|
IC50 |
= |
573.0 |
nM |
435.41 |
C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2ccnc(N3CCCC3)c2)no1 |
Homo sapiens |
CHEMBL4714778 |
cell-based format |
CHEMBL4745211 |
OBDepict
H
3
C
O
CH
3
H
N
N
N
O
N
H
H
3
C
H
O
N
CH
3
N
F
F
F
|
IC50 |
= |
744.0 |
nM |
424.38 |
CO[C@@H](C)c1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ccn1 |
Homo sapiens |
CHEMBL4714778 |
cell-based format |
CHEMBL4758890 |
OBDepict
H
3
C
O
CH
3
H
N
N
N
O
N
H
H
3
C
H
O
N
CH
3
N
F
F
F
|
IC50 |
= |
778.0 |
nM |
424.38 |
CO[C@H](C)c1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ccn1 |
Homo sapiens |
CHEMBL4714778 |
cell-based format |
CHEMBL4779088 |
OBDepict
CH
3
O
N
N
N
H
CH
3
O
N
CH
3
N
F
F
F
|
IC50 |
= |
977.0 |
nM |
379.34 |
Cc1cccc(-c2nc(C(C)NC(=O)c3cc(C(F)(F)F)nn3C)no2)c1 |
Homo sapiens |
CHEMBL4714778 |
cell-based format |