Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50040482'   

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))	BDBM50040482 (17-(cyclopropylmethyl)-6,7-didehydro-4,5-alpha-epo...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C1(CC[C@@]35O)Oc2ccccc2O1 |TLB:17:18:22:7.13.12,3:4:22:7.13.12| Show InChI InChI=1S/C26H27NO5/c28-17-8-7-16-13-20-25(29)9-10-26(31-18-3-1-2-4-19(18)32-26)23-24(25,21(16)22(17)30-23)11-12-27(20)14-15-5-6-15/h1-4,7-8,15,20,23,28-29H,5-6,9-14H2/t20?,23-,24+,25-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Tested for binding activity against kappa opioid receptor using [3H]U-69593 ligand				J Med Chem 37: 579-85 (1994) BindingDB Entry DOI: 10.7270/Q2CF9QRG
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