Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50017681'   

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))	BDBM50017681 ((1S,2R,4S,5R)-2-[(S)-Hydroxy-(6-methoxy-quinolin-4...) Show SMILES COc1ccc2nccc([C@H](O)C3CC4CCN3CC4C=C)c2c1 |TLB:10:12:18.19:16.15,20:19:12.13:16.15| Show InChI InChI=1S/C20H24N2O2/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/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13?,14?,19?,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Toxikologie Curated by ChEMBL					Assay Description Inhibition of 1'-hydroxybufuralol formation by human liver microsomes				J Med Chem 36: 1136-45 (1993) BindingDB Entry DOI: 10.7270/Q2GM87X6
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50017681 ((1S,2R,4S,5R)-2-[(S)-Hydroxy-(6-methoxy-quinolin-4...) Show SMILES COc1ccc2nccc([C@H](O)C3CC4CCN3CC4C=C)c2c1 |TLB:10:12:18.19:16.15,20:19:12.13:16.15| Show InChI InChI=1S/C20H24N2O2/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/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13?,14?,19?,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Toxikologie Curated by ChEMBL					Assay Description Inhibition of partially purified cytochrome P450 2D6 1'-hydroxybufuralol formation				J Med Chem 36: 1136-45 (1993) BindingDB Entry DOI: 10.7270/Q2GM87X6
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50017681 ((1S,2R,4S,5R)-2-[(S)-Hydroxy-(6-methoxy-quinolin-4...) Show SMILES COc1ccc2nccc([C@H](O)C3CC4CCN3CC4C=C)c2c1 |TLB:10:12:18.19:16.15,20:19:12.13:16.15| Show InChI InChI=1S/C20H24N2O2/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/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13?,14?,19?,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Toxikologie Curated by ChEMBL					Assay Description Inhibition of partially purified cytochrome P450 2D6 1'-hydroxybufuralol formation				J Med Chem 36: 1136-45 (1993) BindingDB Entry DOI: 10.7270/Q2GM87X6
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50017681 ((1S,2R,4S,5R)-2-[(S)-Hydroxy-(6-methoxy-quinolin-4...) Show SMILES COc1ccc2nccc([C@H](O)C3CC4CCN3CC4C=C)c2c1 |TLB:10:12:18.19:16.15,20:19:12.13:16.15| Show InChI InChI=1S/C20H24N2O2/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/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13?,14?,19?,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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