Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50055071'   

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 (Cavia porcellus (domestic guinea pig))	BDBM50055071 (CHEMBL3323519) Show SMILES OC1CCN(C1)C1CCCC2C1N(CCN2C(=O)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C27H31Cl2N3O3/c28-21-10-9-18(15-22(21)29)16-25(34)32-14-13-31(27(35)19-5-2-1-3-6-19)24-8-4-7-23(26(24)32)30-12-11-20(33)17-30/h1-3,5-6,9-10,15,20,23-24,26,33H,4,7-8,11-14,16-17H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by scintillation counting analysis				J Med Chem 57: 6845-60 (2014) Article DOI: 10.1021/jm500940q BindingDB Entry DOI: 10.7270/Q2G73GDP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50055071 (CHEMBL3323519) Show SMILES OC1CCN(C1)C1CCCC2C1N(CCN2C(=O)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C27H31Cl2N3O3/c28-21-10-9-18(15-22(21)29)16-25(34)32-14-13-31(27(35)19-5-2-1-3-6-19)24-8-4-7-23(26(24)32)30-12-11-20(33)17-30/h1-3,5-6,9-10,15,20,23-24,26,33H,4,7-8,11-14,16-17H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]Cl-977 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by scintillation counting analysis				J Med Chem 57: 6845-60 (2014) Article DOI: 10.1021/jm500940q BindingDB Entry DOI: 10.7270/Q2G73GDP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50055071 (CHEMBL3323519) Show SMILES OC1CCN(C1)C1CCCC2C1N(CCN2C(=O)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C27H31Cl2N3O3/c28-21-10-9-18(15-22(21)29)16-25(34)32-14-13-31(27(35)19-5-2-1-3-6-19)24-8-4-7-23(26(24)32)30-12-11-20(33)17-30/h1-3,5-6,9-10,15,20,23-24,26,33H,4,7-8,11-14,16-17H2	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	n/a	n/a	470	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in HEK-293 cells assessed as stimulation of [35S]-GTPgammaS binding after 30 mins by liquid...				J Med Chem 57: 6845-60 (2014) Article DOI: 10.1021/jm500940q BindingDB Entry DOI: 10.7270/Q2G73GDP
					More data for this Ligand-Target Pair