Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50021356   

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))	BDBM50159163 ((3S,4aR,4bS,6R,8R,8aR,10aR)-6-Acetoxy-3-furan-3-yl...) Show SMILES COC(=O)[C@@H]1C[C@@H](C[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1)OC(C)=O Show InChI InChI=1S/C23H30O7/c1-13(24)29-15-9-17(20(25)27-4)22(2)7-5-16-21(26)30-18(14-6-8-28-12-14)11-23(16,3)19(22)10-15/h6,8,12,15-19H,5,7,9-11H2,1-4H3/t15-,16-,17-,18-,19-,22-,23-/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	280	n/a	n/a	n/a	n/a
Holden Laboratories Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 17: 6111-5 (2007) Article DOI: 10.1016/j.bmcl.2007.09.050 BindingDB Entry DOI: 10.7270/Q23T9GZK
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50223620 (1-alpha-mesyloxysalvinorin A | CHEMBL439569) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)[C@H](OS(C)(=O)=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C24H32O10S/c1-13(25)32-17-10-16(21(26)30-4)23(2)8-6-15-22(27)33-18(14-7-9-31-12-14)11-24(15,3)20(23)19(17)34-35(5,28)29/h7,9,12,15-20H,6,8,10-11H2,1-5H3/t15-,16-,17-,18-,19-,20-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a
Holden Laboratories Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 17: 6111-5 (2007) Article DOI: 10.1016/j.bmcl.2007.09.050 BindingDB Entry DOI: 10.7270/Q23T9GZK
					More data for this Ligand-Target Pair