Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50105489'   

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))	BDBM50105489 (17-(2-furylmethyl)-(1R,9R,10R)-17-azatetracyclo[7....) Show SMILES Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3Cc2cccs2)c1 |THB:17:16:8:4.5.6| Show InChI InChI=1S/C21H25NOS/c23-16-6-7-18-15(12-16)13-20-19-5-1-2-8-21(18,19)9-10-22(20)14-17-4-3-11-24-17/h3-4,6-7,11-12,19-20,23H,1-2,5,8-10,13-14H2/t19-,20+,21?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.320	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 guinea pig Opioid receptor kappa 1 using radioligand [3H]U-69593				Bioorg Med Chem Lett 11: 2735-40 (2001) BindingDB Entry DOI: 10.7270/Q25T3M01
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