Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50266858'   

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))	BDBM50266858 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10-hydroxy-1...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1cccnc1 |r| Show InChI InChI=1S/C26H26N2O5/c29-18-6-5-16-12-20-26(33-24(31)17-2-1-10-27-13-17)8-7-19(30)23-25(26,21(16)22(18)32-23)9-11-28(20)14-15-3-4-15/h1-2,5-6,10,13,15,20,23,29H,3-4,7-9,11-12,14H2/t20-,23+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]DPN from kappa opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrs				J Med Chem 56: 9156-69 (2013) Article DOI: 10.1021/jm4012214 BindingDB Entry DOI: 10.7270/Q2JH3Q4C
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50266858 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10-hydroxy-1...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1cccnc1 |r| Show InChI InChI=1S/C26H26N2O5/c29-18-6-5-16-12-20-26(33-24(31)17-2-1-10-27-13-17)8-7-19(30)23-25(26,21(16)22(18)32-23)9-11-28(20)14-15-3-4-15/h1-2,5-6,10,13,15,20,23,29H,3-4,7-9,11-12,14H2/t20-,23+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]norBNI from kappa opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 1825-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.093 BindingDB Entry DOI: 10.7270/Q2GX4CH2
					More data for this Ligand-Target Pair