Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50391298'   

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))	BDBM50391298 (CHEMBL5275605) Show SMILES CC(=O)NCc1ccc(cc1)-c1ccc(COC2CC[C@@H]([C@H]2OC\C=C/CCC(O)=O)N2CCCCCC2)cc1 Show InChI InChI=1S/C33H44N2O5/c1-25(36)34-23-26-10-14-28(15-11-26)29-16-12-27(13-17-29)24-40-31-19-18-30(35-20-6-2-3-7-21-35)33(31)39-22-8-4-5-9-32(37)38/h4,8,10-17,30-31,33H,2-3,5-7,9,18-24H2,1H3,(H,34,36)(H,37,38)/b8-4-/t30-,31?,33+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	>4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The compound was tested for alpha-adrenergic activity against Alpha-1 adrenergic receptor from rat aorta.				Citation and Details
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