Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50376846'   

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))	BDBM50376846 (CHEMBL260286) Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)c2ccc(OC)cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C29H32O9/c1-28-11-9-19-27(33)38-22(17-10-12-36-15-17)14-29(19,2)24(28)23(30)21(13-20(28)26(32)35-4)37-25(31)16-5-7-18(34-3)8-6-16/h5-8,10,12,15,19-22,24H,9,11,13-14H2,1-4H3/t19-,20-,21-,22-,24-,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay				J Med Chem 51: 2421-31 (2008) Article DOI: 10.1021/jm701162g BindingDB Entry DOI: 10.7270/Q2DV1KR7
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50376846 (CHEMBL260286) Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)c2ccc(OC)cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C29H32O9/c1-28-11-9-19-27(33)38-22(17-10-12-36-15-17)14-29(19,2)24(28)23(30)21(13-20(28)26(32)35-4)37-25(31)16-5-7-18(34-3)8-6-16/h5-8,10,12,15,19-22,24H,9,11,13-14H2,1-4H3/t19-,20-,21-,22-,24-,28-,29-/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	2.61E+3	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay				J Med Chem 51: 2421-31 (2008) Article DOI: 10.1021/jm701162g BindingDB Entry DOI: 10.7270/Q2DV1KR7
					More data for this Ligand-Target Pair