Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM247262'   

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))	BDBM247262 (US9447029, 3-2) Show SMILES CCCCOc1cccc(c1)C(F)(F)CN(CCCOC)CC(=O)N(C)C Show InChI InChI=1S/C20H32F2N2O3/c1-5-6-13-27-18-10-7-9-17(14-18)20(21,22)16-24(11-8-12-26-4)15-19(25)23(2)3/h7,9-10,14H,5-6,8,11-13,15-16H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	37
NEWRON PHARMACEUTICALS S.P.A. US Patent					Assay Description Test compound is dissolved in DMSO 500× the highest final concentration desired in the IC50 assay. 30 ml of deionized water is pre-warmed to 37...				US Patent US9447029 (2016) BindingDB Entry DOI: 10.7270/Q26T0KJZ
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