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BDBM50113268 CHEMBL3601440

SMILES: FC(F)(F)c1cc(=O)oc2c3C=CCOc3ccc12

InChI Key: InChIKey=KFTQGCAPOXTSAY-UHFFFAOYSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50113268   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50113268
PNG
(CHEMBL3601440)
Show SMILES FC(F)(F)c1cc(=O)oc2c3C=CCOc3ccc12
Show InChI InChI=1S/C13H7F3O3/c14-13(15,16)9-6-11(17)19-12-7(9)3-4-10-8(12)2-1-5-18-10/h1-4,6H,5H2
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PubMed
390n/an/an/an/an/an/an/an/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens)
BDBM50113268
PNG
(CHEMBL3601440)
Show SMILES FC(F)(F)c1cc(=O)oc2c3C=CCOc3ccc12
Show InChI InChI=1S/C13H7F3O3/c14-13(15,16)9-6-11(17)19-12-7(9)3-4-10-8(12)2-1-5-18-10/h1-4,6H,5H2
PDB
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PubMed
2.04E+4n/an/an/an/an/an/an/an/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Inhibition of human microsomal CYP1B1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerati...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Homo sapiens (Human))
BDBM50113268
PNG
(CHEMBL3601440)
Show SMILES FC(F)(F)c1cc(=O)oc2c3C=CCOc3ccc12
Show InChI InChI=1S/C13H7F3O3/c14-13(15,16)9-6-11(17)19-12-7(9)3-4-10-8(12)2-1-5-18-10/h1-4,6H,5H2
PDB

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PC sid
UniChem

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PubMed
6.06E+4n/an/an/an/an/an/an/an/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Inhibition of human microsomal CYP1A1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerati...


Citation and Details
More data for this
Ligand-Target Pair