Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50216980'   

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))	BDBM50216980 (CHEMBL401245 | UMB-94 | UMB94) Show SMILES CO[C@]12[C@@H]3Oc4c5c(C[C@H]6N(C)CC[C@@]35[C@]6(CC1O)C[C@@H]2[C@@H](C)O)ccc4O |w:17.21,TEB:18:17:14.3:19.20| Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-20-10-16(26)22(13,27-3)19-21(20)6-7-23(2)15(20)8-12-4-5-14(25)18(28-19)17(12)21/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13-,15-,16?,19-,20+,21+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from cloned kappa opioid receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 4829-31 (2007) Article DOI: 10.1016/j.bmcl.2007.06.050 BindingDB Entry DOI: 10.7270/Q2C8291Q
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50216980 (CHEMBL401245 | UMB-94 | UMB94) Show SMILES CO[C@]12[C@@H]3Oc4c5c(C[C@H]6N(C)CC[C@@]35[C@]6(CC1O)C[C@@H]2[C@@H](C)O)ccc4O |w:17.21,TEB:18:17:14.3:19.20| Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-20-10-16(26)22(13,27-3)19-21(20)6-7-23(2)15(20)8-12-4-5-14(25)18(28-19)17(12)21/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13-,15-,16?,19-,20+,21+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in CHO membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 17: 4829-31 (2007) Article DOI: 10.1016/j.bmcl.2007.06.050 BindingDB Entry DOI: 10.7270/Q2C8291Q
					More data for this Ligand-Target Pair