Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM320017'   

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))	BDBM320017 (Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...) Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(Cl)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C21H20ClF3N4O3S/c1-10(15-7-27-20(28-8-15)21(23,24)25)29-18(31)13-4-14(19-26-9-17(22)33-19)6-16(5-13)32-12(3)11(2)30/h4-12,30H,1-3H3,(H,29,31)/t10-,11?,12?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Aktiengesellschaft US Patent					Assay Description Human liver microsomes (pooled, >30 male and female donors) were incubated with individual CYP isoform-selective standard probes (phenacetin for CYP1...				US Patent US10202369 (2019) BindingDB Entry DOI: 10.7270/Q2TT4T2P
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM320017 (Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...) Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(Cl)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C21H20ClF3N4O3S/c1-10(15-7-27-20(28-8-15)21(23,24)25)29-18(31)13-4-14(19-26-9-17(22)33-19)6-16(5-13)32-12(3)11(2)30/h4-12,30H,1-3H3,(H,29,31)/t10-,11?,12?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
BEYER AKTIENGESELLSCHAFT US Patent					Assay Description Use of in vitro assays to evaluate the inhibition potential of new drug candidates towards CYP-mediated metabolism has been shown to be effective as ...				US Patent US10174016 (2019) BindingDB Entry DOI: 10.7270/Q2GB264F
					More data for this Ligand-Target Pair