Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50036247'   

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))	BDBM50036247 (4-cyclopropylmethyl-14-(3-isothiocyanatomethylbenz...) Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1cccc(CN=C=S)c1 |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5| Show InChI InChI=1S/C29H32N2O4S/c32-22-7-6-21-13-24-29(33)9-8-23(34-16-20-3-1-2-19(12-20)14-30-17-36)27-28(29,25(21)26(22)35-27)10-11-31(24)15-18-4-5-18/h1-3,6-7,12,18,23-24,27,32-33H,4-5,8-11,13-16H2/t23-,24?,27+,28?,29-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibitory concentration against Opioid receptor kappa 1 using [3H]- U-69,593 radioligand				J Med Chem 38: 570-9 (1995) BindingDB Entry DOI: 10.7270/Q2XW4KFB
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