Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50033655   

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
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM34141 (CHEMBL76237 | MS-245) Show SMILES COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H22N2O3S/c1-20(2)12-11-15-14-21(19-10-9-16(24-3)13-18(15)19)25(22,23)17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Binding affinity to 5HT6 receptor				Bioorg Med Chem Lett 21: 4577-80 (2011) Article DOI: 10.1016/j.bmcl.2011.05.106 BindingDB Entry DOI: 10.7270/Q2GH9JBN
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50349118 (CHEMBL1808424) Show SMILES CN1CC(Cl)=C(C1)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1 |c:4| Show InChI InChI=1S/C19H17ClN2O2S/c1-21-11-17(18(20)13-21)16-12-22(19-10-6-5-9-15(16)19)25(23,24)14-7-3-2-4-8-14/h2-10,12H,11,13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 21: 4577-80 (2011) Article DOI: 10.1016/j.bmcl.2011.05.106 BindingDB Entry DOI: 10.7270/Q2GH9JBN
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50349118 (CHEMBL1808424) Show SMILES CN1CC(Cl)=C(C1)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1 |c:4| Show InChI InChI=1S/C19H17ClN2O2S/c1-21-11-17(18(20)13-21)16-12-22(19-10-6-5-9-15(16)19)25(23,24)14-7-3-2-4-8-14/h2-10,12H,11,13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 21: 4577-80 (2011) Article DOI: 10.1016/j.bmcl.2011.05.106 BindingDB Entry DOI: 10.7270/Q2GH9JBN
					More data for this Ligand-Target Pair