Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM156541'   

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))	BDBM156541 (US10118915, Compound 324 | US9682966, 324) Show SMILES CC(C)CNC1CCN(CC1)c1nc2ccc(C)cc2cc1-c1nc(C)no1 Show InChI InChI=1S/C22H29N5O/c1-14(2)13-23-18-7-9-27(10-8-18)21-19(22-24-16(4)26-28-22)12-17-11-15(3)5-6-20(17)25-21/h5-6,11-12,14,18,23H,7-10,13H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements. The carboxy terminus of the OPRK1 receptor has a 7 amino acid l...				US Patent US9682966 (2017) BindingDB Entry DOI: 10.7270/Q2610XHQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM156541 (US10118915, Compound 324 | US9682966, 324) Show SMILES CC(C)CNC1CCN(CC1)c1nc2ccc(C)cc2cc1-c1nc(C)no1 Show InChI InChI=1S/C22H29N5O/c1-14(2)13-23-18-7-9-27(10-8-18)21-19(22-24-16(4)26-28-22)12-17-11-15(3)5-6-20(17)25-21/h5-6,11-12,14,18,23H,7-10,13H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused KOR (unknown origin) expressed in human U2OS cells co-expressing Tango-OPRK1-BLA assessed as inhibition of U-5...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM156541 (US10118915, Compound 324 | US9682966, 324) Show SMILES CC(C)CNC1CCN(CC1)c1nc2ccc(C)cc2cc1-c1nc(C)no1 Show InChI InChI=1S/C22H29N5O/c1-14(2)13-23-18-7-9-27(10-8-18)21-19(22-24-16(4)26-28-22)12-17-11-15(3)5-6-20(17)25-21/h5-6,11-12,14,18,23H,7-10,13H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description Well-known assay for kappa opioid receptor				US Patent US10118915 (2018) BindingDB Entry DOI: 10.7270/Q23J3G00
					More data for this Ligand-Target Pair