Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50097694'   

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))	BDBM50097694 (CHEMBL3590190) Show SMILES CC(C)N(CCNC(=O)c1ccc2CN(CCc2c1)S(=O)(=O)c1c(C)cc(C)cc1C)Cc1ccccc1 Show InChI InChI=1S/C31H39N3O3S/c1-22(2)33(20-26-9-7-6-8-10-26)16-14-32-31(35)28-11-12-29-21-34(15-13-27(29)19-28)38(36,37)30-24(4)17-23(3)18-25(30)5/h6-12,17-19,22H,13-16,20-21H2,1-5H3,(H,32,35)	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	113	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Antagonist activity against HA-tagged human recombinant kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by [35S]GTPgammaS bi...				Bioorg Med Chem 23: 3948-56 (2015) Article DOI: 10.1016/j.bmc.2014.12.033 BindingDB Entry DOI: 10.7270/Q2R49SJX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50097694 (CHEMBL3590190) Show SMILES CC(C)N(CCNC(=O)c1ccc2CN(CCc2c1)S(=O)(=O)c1c(C)cc(C)cc1C)Cc1ccccc1 Show InChI InChI=1S/C31H39N3O3S/c1-22(2)33(20-26-9-7-6-8-10-26)16-14-32-31(35)28-11-12-29-21-34(15-13-27(29)19-28)38(36,37)30-24(4)17-23(3)18-25(30)5/h6-12,17-19,22H,13-16,20-21H2,1-5H3,(H,32,35)	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	930	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Antagonist activity against human kappa opioid receptor expressed in human U2OS cells co-expressing beta-arrestin2 pre-treated for 15 mins before U69...				Bioorg Med Chem 23: 3948-56 (2015) Article DOI: 10.1016/j.bmc.2014.12.033 BindingDB Entry DOI: 10.7270/Q2R49SJX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50097694 (CHEMBL3590190) Show SMILES CC(C)N(CCNC(=O)c1ccc2CN(CCc2c1)S(=O)(=O)c1c(C)cc(C)cc1C)Cc1ccccc1 Show InChI InChI=1S/C31H39N3O3S/c1-22(2)33(20-26-9-7-6-8-10-26)16-14-32-31(35)28-11-12-29-21-34(15-13-27(29)19-28)38(36,37)30-24(4)17-23(3)18-25(30)5/h6-12,17-19,22H,13-16,20-21H2,1-5H3,(H,32,35)	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	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Antagonist activity against HA-tagged human recombinant kappa opioid receptor expressed in CHO cells assessed as inhibition of U69,593-induced ERK ph...				Bioorg Med Chem 23: 3948-56 (2015) Article DOI: 10.1016/j.bmc.2014.12.033 BindingDB Entry DOI: 10.7270/Q2R49SJX
					More data for this Ligand-Target Pair