Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50096791'   

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))	BDBM50096791 (CHEMBL3580744) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(cc2)C(F)(F)F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r| Show InChI InChI=1S/C38H44F3N7O7/c39-38(40,41)25-13-9-24(10-14-25)20-31-36(54)46-29(33(43)51)21-32(50)44-17-5-4-8-28(45-34(52)27(42)18-23-11-15-26(49)16-12-23)35(53)47-30(37(55)48-31)19-22-6-2-1-3-7-22/h1-3,6-7,9-16,27-31,49H,4-5,8,17-21,42H2,(H2,43,51)(H,44,50)(H,45,52)(H,46,54)(H,47,53)(H,48,55)/t27-,28+,29-,30-,31-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lodz Curated by ChEMBL					Assay Description Displacement of [3H]nor-BNI from kappa opioid receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis				ACS Med Chem Lett 6: 579-83 (2015) Article DOI: 10.1021/acsmedchemlett.5b00056 BindingDB Entry DOI: 10.7270/Q2FF3V3Z
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50096791 (CHEMBL3580744) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(cc2)C(F)(F)F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r| Show InChI InChI=1S/C38H44F3N7O7/c39-38(40,41)25-13-9-24(10-14-25)20-31-36(54)46-29(33(43)51)21-32(50)44-17-5-4-8-28(45-34(52)27(42)18-23-11-15-26(49)16-12-23)35(53)47-30(37(55)48-31)19-22-6-2-1-3-7-22/h1-3,6-7,9-16,27-31,49H,4-5,8,17-21,42H2,(H2,43,51)(H,44,50)(H,45,52)(H,46,54)(H,47,53)(H,48,55)/t27-,28+,29-,30-,31-/m0/s1	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	12	n/a	n/a	n/a	n/a
Medical University of Lodz Curated by ChEMBL					Assay Description Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells co-expressing C-terminally modified Galphaqi5 assessed as stimulat...				ACS Med Chem Lett 6: 579-83 (2015) Article DOI: 10.1021/acsmedchemlett.5b00056 BindingDB Entry DOI: 10.7270/Q2FF3V3Z
					More data for this Ligand-Target Pair