Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50017238'   

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 (Homo sapiens (Human))	BDBM50017238 ((4aS,9aR)-2-Cyclopropylmethyl-4a-ethyl-1,2,3,4,4a,...) Show SMILES CC[C@@]12CCN(CC3CC3)C[C@@H]1Oc1ccc(O)cc21 Show InChI InChI=1S/C17H23NO2/c1-2-17-7-8-18(10-12-3-4-12)11-16(17)20-15-6-5-13(19)9-14(15)17/h5-6,9,12,16,19H,2-4,7-8,10-11H2,1H3/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism Curated by ChEMBL					Assay Description Binding affinity to kappa opioid receptor (unknown origin)				Bioorg Med Chem 21: 3298-309 (2013) Article DOI: 10.1016/j.bmc.2013.02.060 BindingDB Entry DOI: 10.7270/Q2FX7DCH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50017238 ((4aS,9aR)-2-Cyclopropylmethyl-4a-ethyl-1,2,3,4,4a,...) Show SMILES CC[C@@]12CCN(CC3CC3)C[C@@H]1Oc1ccc(O)cc21 Show InChI InChI=1S/C17H23NO2/c1-2-17-7-8-18(10-12-3-4-12)11-16(17)20-15-6-5-13(19)9-14(15)17/h5-6,9,12,16,19H,2-4,7-8,10-11H2,1H3/t16-,17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity for mouse opioid receptor kappa				J Med Chem 32: 2221-6 (1989) BindingDB Entry DOI: 10.7270/Q2Q240T3
					More data for this Ligand-Target Pair