Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50018233   

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))	BDBM50193172 ((4-tert-butylpiperidin-1-yl)(4-isopropylpiperazin-...) Show SMILES CC(C)N1CCN(CC1)C(=O)N1CCC(CC1)C(C)(C)C Show InChI InChI=1S/C17H33N3O/c1-14(2)18-10-12-20(13-11-18)16(21)19-8-6-15(7-9-19)17(3,4)5/h14-15H,6-13H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes				Bioorg Med Chem Lett 16: 5303-8 (2006) Article DOI: 10.1016/j.bmcl.2006.07.093 BindingDB Entry DOI: 10.7270/Q2RV0NBD
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50193180 (CHEMBL220407 | N-(1-(1-isopropylpiperazine-4-carbo...) Show SMILES CC(C)N1CCN(CC1)C(=O)N1CCC(CC1)NC(=O)C1CCCC1 Show InChI InChI=1S/C19H34N4O2/c1-15(2)21-11-13-23(14-12-21)19(25)22-9-7-17(8-10-22)20-18(24)16-5-3-4-6-16/h15-17H,3-14H2,1-2H3,(H,20,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes				Bioorg Med Chem Lett 16: 5303-8 (2006) Article DOI: 10.1016/j.bmcl.2006.07.093 BindingDB Entry DOI: 10.7270/Q2RV0NBD
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50193189 (CHEMBL218834 | [4-(3-Aza-bicyclo[3.2.2]nonane-3-ca...) Show SMILES CC(C)N1CCN(CC1)C(=O)N1CCC(CC1)C(=O)N1CC2CCC(CC2)C1 |(-10.27,-12.49,;-8.93,-13.25,;-8.92,-14.79,;-7.6,-12.47,;-7.61,-10.93,;-6.29,-10.15,;-4.94,-10.9,;-4.93,-12.44,;-6.26,-13.23,;-3.62,-10.12,;-3.64,-8.58,;-2.28,-10.87,;-2.27,-12.41,;-.93,-13.16,;.4,-12.38,;.38,-10.84,;-.96,-10.08,;1.74,-13.14,;1.75,-14.68,;3.07,-12.37,;4.64,-12.83,;5.99,-11.86,;7.33,-12.56,;6.6,-11.37,;4.98,-10.51,;5.01,-9.04,;6.04,-10.28,;4.29,-11.83,)| Show InChI InChI=1S/C22H38N4O2/c1-17(2)23-11-13-25(14-12-23)22(28)24-9-7-20(8-10-24)21(27)26-15-18-3-4-19(16-26)6-5-18/h17-20H,3-16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes				Bioorg Med Chem Lett 16: 5303-8 (2006) Article DOI: 10.1016/j.bmcl.2006.07.093 BindingDB Entry DOI: 10.7270/Q2RV0NBD
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50193179 (CHEMBL218410 | tert-butyl 1-(1-isopropylpiperazine...) Show SMILES CC(C)N1CCN(CC1)C(=O)N1CCC(CC1)C(=O)OC(C)(C)C Show InChI InChI=1S/C18H33N3O3/c1-14(2)19-10-12-21(13-11-19)17(23)20-8-6-15(7-9-20)16(22)24-18(3,4)5/h14-15H,6-13H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes				Bioorg Med Chem Lett 16: 5303-8 (2006) Article DOI: 10.1016/j.bmcl.2006.07.093 BindingDB Entry DOI: 10.7270/Q2RV0NBD
					More data for this Ligand-Target Pair