Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50352120'   

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))	BDBM50352120 (CHEMBL1824516 | CHEMBL1852814) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)Cc1ccncc1 |r| Show InChI InChI=1S/C27H31N3O4/c31-20-4-3-18-14-21-27(33)8-5-19(29-22(32)13-16-6-10-28-11-7-16)25-26(27,23(18)24(20)34-25)9-12-30(21)15-17-1-2-17/h3-4,6-7,10-11,17,19,21,25,31,33H,1-2,5,8-9,12-15H2,(H,29,32)/t19-,21-,25+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	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))	BDBM50352120 (CHEMBL1824516 | CHEMBL1852814) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)Cc1ccncc1 |r| Show InChI InChI=1S/C27H31N3O4/c31-20-4-3-18-14-21-27(33)8-5-19(29-22(32)13-16-6-10-28-11-7-16)25-26(27,23(18)24(20)34-25)9-12-30(21)15-17-1-2-17/h3-4,6-7,10-11,17,19,21,25,31,33H,1-2,5,8-9,12-15H2,(H,29,32)/t19-,21-,25+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	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