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SMILES: CCc1nc(C)c(CN2CCN(CC2)c2cc(ccn2)C(F)(F)F)[nH]1

InChI Key: InChIKey=PJNIZAZDWHCMSB-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50418099   
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 2D6


(Homo sapiens (Human))		BDBM50418099
PNG
(CHEMBL1519342)
Show SMILES CCc1nc(C)c(CN2CCN(CC2)c2cc(ccn2)C(F)(F)F)[nH]1
Show InChI InChI=1S/C17H22F3N5/c1-3-15-22-12(2)14(23-15)11-24-6-8-25(9-7-24)16-10-13(4-5-21-16)17(18,19)20/h4-5,10H,3,6-9,11H2,1-2H3,(H,22,23)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 5.50E+3n/an/an/an/an/an/an/an/a



Kalamazoo College

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)

Drug Metab Dispos 39: 974-83 (2011)


Article DOI: 10.1124/dmd.110.037630
BindingDB Entry DOI: 10.7270/Q22N541S
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50418099
PNG
(CHEMBL1519342)
Show SMILES CCc1nc(C)c(CN2CCN(CC2)c2cc(ccn2)C(F)(F)F)[nH]1
Show InChI InChI=1S/C17H22F3N5/c1-3-15-22-12(2)14(23-15)11-24-6-8-25(9-7-24)16-10-13(4-5-21-16)17(18,19)20/h4-5,10H,3,6-9,11H2,1-2H3,(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
 5.50E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of human cytochrome P450 2D6 measured by dextromethorphan O-demethylation

Curr Drug Metab 6: 413-54 (2005)


BindingDB Entry DOI: 10.7270/Q2VQ33X3
More data for this
Ligand-Target Pair