Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50076005'   

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))	BDBM50076005 (2-[11,15-dimethoxy-3-methyl-(14R,15S)-13-oxa-3-aza...) Show SMILES CO[C@@]12CCC3(C[C@@H]1[C@](C)(O)C(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45 |TLB:28:27:5:29.16.15| Show InChI InChI=1S/C25H35NO4/c1-14(2)22(3,28)17-13-23-8-9-25(17,29-5)21-24(23)10-11-26(4)18(23)12-15-6-7-16(27)20(30-21)19(15)24/h6-7,14,17-18,21,27-28H,8-13H2,1-5H3/t17-,18-,21-,22-,23?,24?,25+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Binding affinity towards kappa opioid receptor in guinea pig brain membranes using [3H]- U-69,593 as radioligand				Bioorg Med Chem Lett 9: 831-4 (1999) BindingDB Entry DOI: 10.7270/Q2FT8MJK
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