Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50397109'   

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))	BDBM50397109 (CHEMBL2171847) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 |r| Show InChI InChI=1S/C32H35N5O5/c33-25(15-22-11-13-24(38)14-12-22)32(42)37-19-23-18-28(37)31(41)36-27(17-21-9-5-2-6-10-21)30(40)35-26(29(39)34-23)16-20-7-3-1-4-8-20/h1-14,23,25-28,38H,15-19,33H2,(H,34,39)(H,35,40)(H,36,41)/t23?,25-,26-,27+,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara G. d'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by liquid scintillation counter				J Med Chem 55: 8477-82 (2012) Article DOI: 10.1021/jm300947s BindingDB Entry DOI: 10.7270/Q2NP25JD
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