Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50013147'   

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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50013147 (2-Benzo[b]thiophen-4-yl-N-(4,5-dimethoxy-2-pyrroli...) Show SMILES CO[C@H]1CC([C@H](C[C@H]1OC)N1CCCC1)N(C)C(=O)Cc1cccc2sccc12 Show InChI InChI=1S/C23H32N2O3S/c1-24(23(26)13-16-7-6-8-22-17(16)9-12-29-22)18-14-20(27-2)21(28-3)15-19(18)25-10-4-5-11-25/h6-9,12,18-21H,4-5,10-11,13-15H2,1-3H3/t18?,19-,20-,21+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Research Unit Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1				J Med Chem 33: 286-91 (1990) BindingDB Entry DOI: 10.7270/Q2DJ5G7P
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50013147 (2-Benzo[b]thiophen-4-yl-N-(4,5-dimethoxy-2-pyrroli...) Show SMILES CO[C@H]1CC([C@H](C[C@H]1OC)N1CCCC1)N(C)C(=O)Cc1cccc2sccc12 Show InChI InChI=1S/C23H32N2O3S/c1-24(23(26)13-16-7-6-8-22-17(16)9-12-29-22)18-14-20(27-2)21(28-3)15-19(18)25-10-4-5-11-25/h6-9,12,18-21H,4-5,10-11,13-15H2,1-3H3/t18?,19-,20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Research Unit Curated by ChEMBL					Assay Description Binding affinity towards opioid receptor kappa was determined				J Med Chem 32: 1620-6 (1989) BindingDB Entry DOI: 10.7270/Q2GH9JJB
					More data for this Ligand-Target Pair