Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50041570'   

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))	BDBM50041570 (17-(cyclopropylmethyl)-17'-aminoethyl-6,6',7,7'-te...) Show SMILES NCCN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c2C[C@@]3(O)[C@H]6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O Show InChI InChI=1S/C38H42N4O6/c39-9-12-41-10-7-35-27-19-3-5-23(43)31(27)47-33(35)29-21(15-37(35,45)25(41)13-19)22-16-38(46)26-14-20-4-6-24(44)32-28(20)36(38,34(48-32)30(22)40-29)8-11-42(26)17-18-1-2-18/h3-6,18,25-26,33-34,40,43-46H,1-2,7-17,39H2/t25-,26-,33+,34+,35+,36+,37-,38-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description The binding affinity on kappa-opioid receptor using [3H]- U-69,593 as radioligand				J Med Chem 37: 1495-500 (1994) BindingDB Entry DOI: 10.7270/Q2XP75K7
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