Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50098195'   

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))	BDBM50098195 (22-cyclopropylmethyl-11-(2-fluoroethyl)-14-oxa-11,...) Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1CCF |TLB:8:7:22:18.4.5,23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12| Show InChI InChI=1S/C28H29FN2O3/c29-10-12-31-20-4-2-1-3-18(20)19-14-28(33)22-13-17-7-8-21(32)25-23(17)27(28,26(34-25)24(19)31)9-11-30(22)15-16-5-6-16/h1-4,7-8,16,22,26,32-33H,5-6,9-15H2/t22?,26-,27?,28+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.30	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 to Opioid receptor kappa 1 by using [3H]U-69593 as a radioligand from guinea pig				Bioorg Med Chem Lett 11: 939-43 (2001) BindingDB Entry DOI: 10.7270/Q21V5FG3
					More data for this Ligand-Target Pair