Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50189133'   

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))	BDBM50189133 ((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 2-(furan-3-yl)...) Show SMILES CCC(=O)N[C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C24H31NO7/c1-5-18(26)25-16-10-15(21(28)30-4)23(2)8-6-14-22(29)32-17(13-7-9-31-12-13)11-24(14,3)20(23)19(16)27/h7,9,12,14-17,20H,5-6,8,10-11H2,1-4H3,(H,25,26)/t14-,15-,16+,17-,20-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50189133 ((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 2-(furan-3-yl)...) Show SMILES CCC(=O)N[C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C24H31NO7/c1-5-18(26)25-16-10-15(21(28)30-4)23(2)8-6-14-22(29)32-17(13-7-9-31-12-13)11-24(14,3)20(23)19(16)27/h7,9,12,14-17,20H,5-6,8,10-11H2,1-4H3,(H,25,26)/t14-,15-,16+,17-,20-,23-,24-/m0/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	718	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair