Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50106737'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50106737 (CHEMBL267865 | N-(4-Butyl-2-methyl-phenyl)-N'-hydr...) Show SMILES CCCCc1ccc(NC=NO)c(C)c1 |w:10.10| Show InChI InChI=1S/C12H18N2O/c1-3-4-5-11-6-7-12(10(2)8-11)13-9-14-15/h6-9,15H,3-5H2,1-2H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114332 BindingDB Entry DOI: 10.7270/Q20P1410
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50106737 (CHEMBL267865 | N-(4-Butyl-2-methyl-phenyl)-N'-hydr...) Show SMILES CCCCc1ccc(NC=NO)c(C)c1 |w:10.10| Show InChI InChI=1S/C12H18N2O/c1-3-4-5-11-6-7-12(10(2)8-11)13-9-14-15/h6-9,15H,3-5H2,1-2H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50106737 (CHEMBL267865 | N-(4-Butyl-2-methyl-phenyl)-N'-hydr...) Show SMILES CCCCc1ccc(NC=NO)c(C)c1 |w:10.10| Show InChI InChI=1S/C12H18N2O/c1-3-4-5-11-6-7-12(10(2)8-11)13-9-14-15/h6-9,15H,3-5H2,1-2H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	8.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human Cytochrome P450 2D6				Bioorg Med Chem Lett 11: 2993-5 (2001) BindingDB Entry DOI: 10.7270/Q2RB73XW
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50106737 (CHEMBL267865 | N-(4-Butyl-2-methyl-phenyl)-N'-hydr...) Show SMILES CCCCc1ccc(NC=NO)c(C)c1 |w:10.10| Show InChI InChI=1S/C12H18N2O/c1-3-4-5-11-6-7-12(10(2)8-11)13-9-14-15/h6-9,15H,3-5H2,1-2H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Concentration required to inhibit cytochrome P450 2D6.				J Med Chem 46: 5416-27 (2003) Article DOI: 10.1021/jm020557k BindingDB Entry DOI: 10.7270/Q2QF8S96
					More data for this Ligand-Target Pair