molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3358263 |
|
IC50 |
= |
140.0 |
nM |
537.63 |
C/C=C/c1cc(C(=O)NC(Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCCN(C)C)ccc1C |
Homo sapiens |
CHEMBL3390316 |
assay format |
CHEMBL3358276 |
OBDepict
H
3
C
CH
3
S
NH
O
H
N
H
O
N
H
3
C
CH
3
F
F
F
|
IC50 |
= |
150.0 |
nM |
545.67 |
CCCc1cc(C(=O)N[C@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCCN(C)C)sc1C |
Homo sapiens |
CHEMBL3390316 |
assay format |
CHEMBL3358261 |
OBDepict
CH
3
H
3
C
S
N
H
O
HN
O
N
H
3
C
CH
3
F
F
F
|
IC50 |
= |
180.0 |
nM |
545.67 |
CCCc1cc(C(=O)NC(Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCCN(C)C)sc1C |
Homo sapiens |
CHEMBL3390316 |
assay format |
CHEMBL3358280 |
OBDepict
CH
3
CH
3
NH
O
H
N
H
O
H
NH
F
F
F
|
IC50 |
= |
190.0 |
nM |
535.61 |
C/C=C/c1cc(C(=O)N[C@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)N[C@@H]2CCNC2)ccc1C |
Homo sapiens |
CHEMBL3390316 |
assay format |
CHEMBL3358264 |
OBDepict
CH
3
H
3
C
N
H
O
HN
O
N
H
3
C
CH
3
F
F
F
|
IC50 |
= |
250.0 |
nM |
539.64 |
CCCc1cc(C(=O)NC(Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCCN(C)C)ccc1C |
Homo sapiens |
CHEMBL3390316 |
assay format |
CHEMBL3358270 |
OBDepict
CH
3
H
3
C
S
NH
O
H
N
H
O
H
N
N
H
O
F
F
F
|
IC50 |
= |
310.0 |
nM |
560.64 |
CCCc1cc(C(=O)N[C@H](Cc2ccc(-c3cccc(OC(F)(F)F)c3)nc2)C(=O)N[C@@H]2CCNC2)sc1C |
Homo sapiens |
CHEMBL3390316 |
assay format |
CHEMBL3358262 |
OBDepict
CH
3
N
H
3
C
NH
O
N
H
O
O
CH
3
F
F
F
|
IC50 |
= |
320.0 |
nM |
527.59 |
Cc1cc(C(=O)NC(Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCCN(C)C)c(C2CC2)o1 |
Homo sapiens |
CHEMBL3390316 |
assay format |
CHEMBL3358271 |
OBDepict
H
3
C
CH
3
S
NH
O
H
N
H
O
N
N
H
3
C
CH
3
O
F
F
F
|
IC50 |
= |
500.0 |
nM |
562.66 |
CCCc1cc(C(=O)N[C@H](Cc2ccc(-c3cccc(OC(F)(F)F)c3)nc2)C(=O)NCCN(C)C)sc1C |
Homo sapiens |
CHEMBL3390316 |
assay format |
CHEMBL3358281 |
OBDepict
CH
3
CH
3
NH
O
H
N
H
O
H
NH
F
F
F
|
IC50 |
= |
520.0 |
nM |
535.61 |
C/C=C/c1cc(C(=O)N[C@@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)N[C@@H]2CCNC2)ccc1C |
Homo sapiens |
CHEMBL3390316 |
assay format |
CHEMBL3358272 |
OBDepict
H
3
C
CH
3
S
NH
O
H
N
H
O
N
N
H
3
C
CH
3
F
F
F
|
IC50 |
= |
700.0 |
nM |
546.66 |
CCCc1cc(C(=O)N[C@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)nc2)C(=O)NCCN(C)C)sc1C |
Homo sapiens |
CHEMBL3390316 |
assay format |
CHEMBL3358265 |
OBDepict
CH
3
O
O
CH
3
N
H
O
HN
O
N
H
3
C
CH
3
O
F
F
F
|
IC50 |
= |
960.0 |
nM |
573.61 |
COCc1cc(C(=O)NC(Cc2ccc(-c3cccc(OC(F)(F)F)c3)cc2)C(=O)NCCN(C)C)ccc1OC |
Homo sapiens |
CHEMBL3390316 |
assay format |