Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50105485'   

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))	BDBM50105485 (17-cyclopentylmethyl-17-azatetracyclo[7.5.3.01,10....) Show SMILES Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CC2CCCC2)c1 |THB:17:16:8:4.5.6| Show InChI InChI=1S/C22H31NO/c24-18-8-9-19-17(13-18)14-21-20-7-3-4-10-22(19,20)11-12-23(21)15-16-5-1-2-6-16/h8-9,13,16,20-21,24H,1-7,10-12,14-15H2/t20-,21+,22?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Binding affinity towards Opioid receptor kappa 1 in guinea pig brain membranes using [3H]U-69593 as radioligand				Bioorg Med Chem Lett 11: 2735-40 (2001) BindingDB Entry DOI: 10.7270/Q25T3M01
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