Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50366622'   

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))	BDBM50366622 (CHEMBL1202098) Show SMILES OC12Cc3c([nH]c4ccccc34)C3Oc4c5c(CC1N(CC1CC1)CCC235)ccc4OCCc1ccccc1 |TLB:0:1:19.24.25:16.17.15,2:1:19.24.25:16.17.15,THB:27:16:1:19.24.25,14:15:1:19.24.25,20:19:1:16.17.15| Show InChI InChI=1S/C34H34N2O3/c37-34-19-25-24-8-4-5-9-26(24)35-30(25)32-33(34)15-16-36(20-22-10-11-22)28(34)18-23-12-13-27(31(39-32)29(23)33)38-17-14-21-6-2-1-3-7-21/h1-9,12-13,22,28,32,35,37H,10-11,14-20H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Ability to displace [3H]U-69593 from kappa opioid receptor				Bioorg Med Chem Lett 9: 3435-8 (2000) BindingDB Entry DOI: 10.7270/Q2GT5NPZ
					More data for this Ligand-Target Pair