Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50123279'   

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))	BDBM50123279 (19-cyclopropylmethyl-6-(1H-1-pyrrolyl)-11-oxa-8,19...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-n1cccc1 Show InChI InChI=1S/C27H27N3O3/c31-20-6-5-17-12-21-27(32)13-18-11-19(29-8-1-2-9-29)14-28-23(18)25-26(27,22(17)24(20)33-25)7-10-30(21)15-16-3-4-16/h1-2,5-6,8-9,11,14,16,21,25,31-32H,3-4,7,10,12-13,15H2/t21-,25+,26+,27-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Antagonist activity on agonist stimulated [35S]GTP-gamma-S, binding in guinea pig caudate membranes (10 uM U69,593 as the agonist ligand for kappa-re...				Bioorg Med Chem Lett 13: 529-32 (2003) BindingDB Entry DOI: 10.7270/Q27S7P9P
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50123279 (19-cyclopropylmethyl-6-(1H-1-pyrrolyl)-11-oxa-8,19...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-n1cccc1 Show InChI InChI=1S/C27H27N3O3/c31-20-6-5-17-12-21-27(32)13-18-11-19(29-8-1-2-9-29)14-28-23(18)25-26(27,22(17)24(20)33-25)7-10-30(21)15-16-3-4-16/h1-2,5-6,8-9,11,14,16,21,25,31-32H,3-4,7,10,12-13,15H2/t21-,25+,26+,27-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Binding affinity for kappa opioid receptor was measured using [3H]U-69593				Bioorg Med Chem Lett 13: 529-32 (2003) BindingDB Entry DOI: 10.7270/Q27S7P9P
					More data for this Ligand-Target Pair