Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50528964'   

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))	BDBM50528964 (CHEMBL4464797) Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(Cl)=O)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r| Show InChI InChI=1S/C22H25ClO8/c1-21-6-4-12-19(26)30-15(11-5-7-29-10-11)9-22(12,2)17(21)16(24)14(31-20(23)27)8-13(21)18(25)28-3/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	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Binding affinity to kappa opioid receptor (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111701 BindingDB Entry DOI: 10.7270/Q2668HN9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50528964 (CHEMBL4464797) Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(Cl)=O)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r| Show InChI InChI=1S/C22H25ClO8/c1-21-6-4-12-19(26)30-15(11-5-7-29-10-11)9-22(12,2)17(21)16(24)14(31-20(23)27)8-13(21)18(25)28-3/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	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.190	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of kappa opioid receptor (unknown origin)				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111701 BindingDB Entry DOI: 10.7270/Q2668HN9
					More data for this Ligand-Target Pair