Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50265525'   

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))	BDBM50265525 (CHEMBL4092454) Show SMILES CC(NCc1nccn1C)c1cccc(O)c1 Show InChI InChI=1S/C13H17N3O/c1-10(11-4-3-5-12(17)8-11)15-9-13-14-6-7-16(13)2/h3-8,10,15,17H,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Displacement of 3H-U69593 from human KOR expressed in HEK293 cells after 90 mins by micro beta scintillation counting analysis				J Med Chem 60: 3070-3081 (2017) Article DOI: 10.1021/acs.jmedchem.7b00109 BindingDB Entry DOI: 10.7270/Q2VQ354M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50265525 (CHEMBL4092454) Show SMILES CC(NCc1nccn1C)c1cccc(O)c1 Show InChI InChI=1S/C13H17N3O/c1-10(11-4-3-5-12(17)8-11)15-9-13-14-6-7-16(13)2/h3-8,10,15,17H,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Displacement of 3H-U69593 from human KOR expressed in HEK293 cells after 90 mins by micro beta scintillation counting analysis				J Med Chem 60: 3070-3081 (2017) Article DOI: 10.1021/acs.jmedchem.7b00109 BindingDB Entry DOI: 10.7270/Q2VQ354M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50265525 (CHEMBL4092454) Show SMILES CC(NCc1nccn1C)c1cccc(O)c1 Show InChI InChI=1S/C13H17N3O/c1-10(11-4-3-5-12(17)8-11)15-9-13-14-6-7-16(13)2/h3-8,10,15,17H,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Agonist activity at KOR (unknown origin) expressed in HTLA cells assessed as beta-arrestin recruitment incubated overnight by Bright-Glo luminescence...				J Med Chem 60: 3070-3081 (2017) Article DOI: 10.1021/acs.jmedchem.7b00109 BindingDB Entry DOI: 10.7270/Q2VQ354M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50265525 (CHEMBL4092454) Show SMILES CC(NCc1nccn1C)c1cccc(O)c1 Show InChI InChI=1S/C13H17N3O/c1-10(11-4-3-5-12(17)8-11)15-9-13-14-6-7-16(13)2/h3-8,10,15,17H,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	530	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Antagonist activity at human KOR expressed in HEK293T cells coexpressing Gi assessed as Gi-mediated inhibition of cAMP production incubated for 15 mi...				J Med Chem 60: 3070-3081 (2017) Article DOI: 10.1021/acs.jmedchem.7b00109 BindingDB Entry DOI: 10.7270/Q2VQ354M
					More data for this Ligand-Target Pair