Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50122859'   

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 (Homo sapiens (Human))	BDBM50122859 (22-cyclopropylmethyl-7-[2-(1-iminobutylamino)ethyl...) Show SMILES CCCC(=N)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:16:17:29:21.27.26,35:18:29:21.27.26| Show InChI InChI=1S/C32H38N4O3/c1-2-3-26(33)34-12-10-18-6-8-23-21(14-18)22-16-32(38)25-15-20-7-9-24(37)29-27(20)31(32,30(39-29)28(22)35-23)11-13-36(25)17-19-4-5-19/h6-9,14,19,25,30,35,37-38H,2-5,10-13,15-17H2,1H3,(H2,33,34)/t25?,30-,31-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells				J Med Chem 46: 314-7 (2003) Article DOI: 10.1021/jm020997b BindingDB Entry DOI: 10.7270/Q2PK0GW4
					More data for this Ligand-Target Pair