Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50169779'   

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))	BDBM50169779 ((3S,4aR,6S,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dimethy...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)C(F)(F)F)C(=O)C2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C23H25F3O8/c1-21-6-4-12-19(29)33-15(11-5-7-32-10-11)9-22(12,2)17(21)16(27)14(8-13(21)18(28)31-3)34-20(30)23(24,25)26/h5,7,10,12-15,17H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17?,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonistic activity against human k-opioid receptor using [3H]diprenorphine				Bioorg Med Chem Lett 15: 3744-7 (2005) Article DOI: 10.1016/j.bmcl.2005.05.048 BindingDB Entry DOI: 10.7270/Q2MS3THX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50169779 ((3S,4aR,6S,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dimethy...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)C(F)(F)F)C(=O)C2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C23H25F3O8/c1-21-6-4-12-19(29)33-15(11-5-7-32-10-11)9-22(12,2)17(21)16(27)14(8-13(21)18(28)31-3)34-20(30)23(24,25)26/h5,7,10,12-15,17H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17?,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonistic activity against human k-opioid receptor using [3H]diprenorphine				Bioorg Med Chem Lett 15: 3744-7 (2005) Article DOI: 10.1016/j.bmcl.2005.05.048 BindingDB Entry DOI: 10.7270/Q2MS3THX
					More data for this Ligand-Target Pair