Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50128405'   

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))	BDBM50128405 (CHEMBL299709 | N-((6S,11R)-3-Cyclopropylmethyl-6-e...) Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(NC=O)cc21 |TLB:6:5:13.23.15:11,14:13:11:5.3.4,THB:22:23:11:5.3.4| Show InChI InChI=1S/C20H26N2O2/c1-3-20-8-9-22(11-14-4-5-14)18(13(20)2)19(24)16-7-6-15(21-12-23)10-17(16)20/h6-7,10,12-14,18H,3-5,8-9,11H2,1-2H3,(H,21,23)/t13-,18?,20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Binding affinity was determined towards opioid receptor kappa 1 using [3H]U69,593 as radioligand				Bioorg Med Chem Lett 13: 1911-4 (2003) BindingDB Entry DOI: 10.7270/Q2FB529V
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