Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50097701'   

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))	BDBM50097701 (CHEMBL3590197) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(ccc2C1)C(=O)NCCN(Cc1ccc(F)cc1)C(C)(C)C Show InChI InChI=1S/C31H40FN5O5S/c1-4-6-7-8-9-10-15-35(3)27(38)20-37-19-25(16-24-17-33-30(41)36(18-24)21-28(39)42-5-2)29(40)34-31(37)43-22-23-11-13-26(32)14-12-23/h11-14,17-19H,4-10,15-16,20-22H2,1-3H3	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	3.70	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))	BDBM50097701 (CHEMBL3590197) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(ccc2C1)C(=O)NCCN(Cc1ccc(F)cc1)C(C)(C)C Show InChI InChI=1S/C31H40FN5O5S/c1-4-6-7-8-9-10-15-35(3)27(38)20-37-19-25(16-24-17-33-30(41)36(18-24)21-28(39)42-5-2)29(40)34-31(37)43-22-23-11-13-26(32)14-12-23/h11-14,17-19H,4-10,15-16,20-22H2,1-3H3	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	76	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50097701 (CHEMBL3590197) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(ccc2C1)C(=O)NCCN(Cc1ccc(F)cc1)C(C)(C)C Show InChI InChI=1S/C31H40FN5O5S/c1-4-6-7-8-9-10-15-35(3)27(38)20-37-19-25(16-24-17-33-30(41)36(18-24)21-28(39)42-5-2)29(40)34-31(37)43-22-23-11-13-26(32)14-12-23/h11-14,17-19H,4-10,15-16,20-22H2,1-3H3	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	104	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