Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50148075'   

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 (Rattus norvegicus (rat))	BDBM50148075 (17-cyclopropylmethyl-10-methoxy-3-(3-phenylpropoxy...) Show SMILES CO[C@@]12CCC(=O)CC11CCN(CC3CC3)[C@@H]2Cc2cccc(OCCCc3ccccc3)c12 |TLB:12:11:2:33.18.17| Show InChI InChI=1S/C30H37NO3/c1-33-30-15-14-25(32)20-29(30)16-17-31(21-23-12-13-23)27(30)19-24-10-5-11-26(28(24)29)34-18-6-9-22-7-3-2-4-8-22/h2-5,7-8,10-11,23,27H,6,9,12-21H2,1H3/t27-,29?,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.08E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity determined by displacing [3H]U69,593 from Opioid receptor kappa 1 in rat brain membranes				J Med Chem 47: 3242-7 (2004) Article DOI: 10.1021/jm031126k BindingDB Entry DOI: 10.7270/Q2TD9WT4
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