Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50076010'   

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))	BDBM50076010 (3,17,17,18-tetramethyl-13,16-dioxa-3-azaheptacyclo...) Show SMILES CC1C2CC34CCC2(OC1(C)C)C1Oc2c5c(CC3N(C)CCC415)ccc2O |TLB:5:4:15.16.17:19.22.21,14:15:4:19.22.21,20:19:4:15.16.17| Show InChI InChI=1S/C24H31NO3/c1-13-15-12-22-7-8-24(15,28-21(13,2)3)20-23(22)9-10-25(4)17(22)11-14-5-6-16(26)19(27-20)18(14)23/h5-6,13,15,17,20,26H,7-12H2,1-4H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60	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
					More data for this Ligand-Target Pair