Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50171156'   

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))	BDBM50171156 ((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Acetoxy-3-furan-3-yl...) Show SMILES CC(=O)O[C@H]1C[C@@H](C(=O)OCCCC#C)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C27H32O8/c1-5-6-7-11-33-24(30)19-13-20(34-16(2)28)22(29)23-26(19,3)10-8-18-25(31)35-21(14-27(18,23)4)17-9-12-32-15-17/h1,9,12,15,18-21,23H,6-8,10-11,13-14H2,2-4H3/t18-,19-,20-,21-,23-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	201	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)				Bioorg Med Chem Lett 15: 4169-73 (2005) Article DOI: 10.1016/j.bmcl.2005.06.092 BindingDB Entry DOI: 10.7270/Q2BP02BX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50171156 ((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Acetoxy-3-furan-3-yl...) Show SMILES CC(=O)O[C@H]1C[C@@H](C(=O)OCCCC#C)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C27H32O8/c1-5-6-7-11-33-24(30)19-13-20(34-16(2)28)22(29)23-26(19,3)10-8-18-25(31)35-21(14-27(18,23)4)17-9-12-32-15-17/h1,9,12,15,18-21,23H,6-8,10-11,13-14H2,2-4H3/t18-,19-,20-,21-,23-,26-,27-/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	224	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Concentration required to enhance [35S]-GTP-gammaS, binding to human Opioid receptor kappa expressed in CHO cells				Bioorg Med Chem Lett 15: 4169-73 (2005) Article DOI: 10.1016/j.bmcl.2005.06.092 BindingDB Entry DOI: 10.7270/Q2BP02BX
					More data for this Ligand-Target Pair