Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50352114'   

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))	BDBM50352114 (CHEMBL1824509 | CHEMBL1852788) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccnc(Cl)c1 |r| Show InChI InChI=1S/C26H28ClN3O4/c27-20-12-16(6-9-28-20)24(32)29-17-5-7-26(33)19-11-15-3-4-18(31)22-21(15)25(26,23(17)34-22)8-10-30(19)13-14-1-2-14/h3-4,6,9,12,14,17,19,23,31,33H,1-2,5,7-8,10-11,13H2,(H,29,32)/t17-,19-,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	0.150	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 expressed in CHO cells after 1 hr				J Med Chem 55: 10118-29 (2012) Article DOI: 10.1021/jm301247n BindingDB Entry DOI: 10.7270/Q29P32SK
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50352114 (CHEMBL1824509 | CHEMBL1852788) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccnc(Cl)c1 |r| Show InChI InChI=1S/C26H28ClN3O4/c27-20-12-16(6-9-28-20)24(32)29-17-5-7-26(33)19-11-15-3-4-18(31)22-21(15)25(26,23(17)34-22)8-10-30(19)13-14-1-2-14/h3-4,6,9,12,14,17,19,23,31,33H,1-2,5,7-8,10-11,13H2,(H,29,32)/t17-,19-,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	0.150	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 after 1 hr				Bioorg Med Chem Lett 21: 5625-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.135 BindingDB Entry DOI: 10.7270/Q21J9B57
					More data for this Ligand-Target Pair