BindingDB logo
myBDB logout

BDBM50407157 DIHYDROQUINIDINE::GNF-Pf-5606

SMILES: CCC1CN2CCC1CC2[C@@H](O)c1ccnc2ccc(OC)cc12

InChI Key: InChIKey=LJOQGZACKSYWCH-LHFMAAMQSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50407157   
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))		BDBM50407157
PNG
(DIHYDROQUINIDINE | GNF-Pf-5606)
Show SMILES CCC1CN2CCC1CC2[C@@H](O)c1ccnc2ccc(OC)cc12 |r,TLB:10:9:2.3:5.6,THB:1:2:5.6:8.9|
Show InChI InChI=1S/C20H26N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3/t13?,14?,19?,20-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PubMed
 66n/an/an/an/an/an/an/an/a



Institut f£r Toxikologie

Curated by ChEMBL


Assay Description
Inhibitory effect on Bufuralol 1'-hydroxylation by human liver microsomes (Ki = apparent inhibition constant)

J Med Chem 36: 1136-45 (1993)


BindingDB Entry DOI: 10.7270/Q2GM87X6
More data for this
Ligand-Target Pair