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BDBM50113273 CHEMBL3601509

SMILES: Cc1cc2c(ccc3c(cc(=O)oc23)C(F)(F)F)o1

InChI Key: InChIKey=KHCORNAUXGFUIC-UHFFFAOYSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50113273   
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))
BDBM50113273
PNG
(CHEMBL3601509)
Show SMILES Cc1cc2c(ccc3c(cc(=O)oc23)C(F)(F)F)o1
Show InChI InChI=1S/C13H7F3O3/c1-6-4-8-10(18-6)3-2-7-9(13(14,15)16)5-11(17)19-12(7)8/h2-5H,1H3
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
1.35E+3n/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)
BDBM50113273
PNG
(CHEMBL3601509)
Show SMILES Cc1cc2c(ccc3c(cc(=O)oc23)C(F)(F)F)o1
Show InChI InChI=1S/C13H7F3O3/c1-6-4-8-10(18-6)3-2-7-9(13(14,15)16)5-11(17)19-12(7)8/h2-5H,1H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
4.68E+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))
BDBM50113273
PNG
(CHEMBL3601509)
Show SMILES Cc1cc2c(ccc3c(cc(=O)oc23)C(F)(F)F)o1
Show InChI InChI=1S/C13H7F3O3/c1-6-4-8-10(18-6)3-2-7-9(13(14,15)16)5-11(17)19-12(7)8/h2-5H,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
6.07E+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