Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50097705'   

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))	BDBM50097705 (CHEMBL3590201) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCc2cc(ccc2C1)C(=O)NCCN(Cc1ccc(Br)cc1)C(C)(C)C Show InChI InChI=1S/C33H43FN6O5S/c1-3-4-5-6-7-8-13-37(2)29(41)22-40-21-27(31(43)36-33(40)46-24-25-9-11-28(34)12-10-25)18-26-19-35-32(44)39(20-26)23-30(42)38-14-16-45-17-15-38/h9-12,19-21H,3-8,13-18,22-24H2,1-2H3	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	106	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))	BDBM50097705 (CHEMBL3590201) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCc2cc(ccc2C1)C(=O)NCCN(Cc1ccc(Br)cc1)C(C)(C)C Show InChI InChI=1S/C33H43FN6O5S/c1-3-4-5-6-7-8-13-37(2)29(41)22-40-21-27(31(43)36-33(40)46-24-25-9-11-28(34)12-10-25)18-26-19-35-32(44)39(20-26)23-30(42)38-14-16-45-17-15-38/h9-12,19-21H,3-8,13-18,22-24H2,1-2H3	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	710	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))	BDBM50097705 (CHEMBL3590201) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCc2cc(ccc2C1)C(=O)NCCN(Cc1ccc(Br)cc1)C(C)(C)C Show InChI InChI=1S/C33H43FN6O5S/c1-3-4-5-6-7-8-13-37(2)29(41)22-40-21-27(31(43)36-33(40)46-24-25-9-11-28(34)12-10-25)18-26-19-35-32(44)39(20-26)23-30(42)38-14-16-45-17-15-38/h9-12,19-21H,3-8,13-18,22-24H2,1-2H3	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	1.34E+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