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SMILES: Fc1cnc(nc1)N1CCN(Cc2cnc([nH]2)-c2ccccc2)CC1

InChI Key: InChIKey=GKLMXCIEUYGUNY-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50418100   
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))		BDBM50418100
PNG
(CHEMBL1743355 | SCH-66712)
Show SMILES Fc1cnc(nc1)N1CCN(Cc2cnc([nH]2)-c2ccccc2)CC1
Show InChI InChI=1S/C18H19FN6/c19-15-10-21-18(22-11-15)25-8-6-24(7-9-25)13-16-12-20-17(23-16)14-4-2-1-3-5-14/h1-5,10-12H,6-9,13H2,(H,20,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 550n/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))		BDBM50418100
PNG
(CHEMBL1743355 | SCH-66712)
Show SMILES Fc1cnc(nc1)N1CCN(Cc2cnc([nH]2)-c2ccccc2)CC1
Show InChI InChI=1S/C18H19FN6/c19-15-10-21-18(22-11-15)25-8-6-24(7-9-25)13-16-12-20-17(23-16)14-4-2-1-3-5-14/h1-5,10-12H,6-9,13H2,(H,20,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 4.80E+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 using recombinant CYP2D6

Curr Drug Metab 6: 413-54 (2005)


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