Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50122864'   

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))	BDBM50122864 (22-cyclopropylmethyl-7-(2-imino-2-propylaminoethyl...) Show SMILES CCCNC(=N)Cc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:15:16:28:20.26.25,34:17:28:20.26.25| Show InChI InChI=1S/C31H36N4O3/c1-2-10-33-25(32)13-18-5-7-22-20(12-18)21-15-31(37)24-14-19-6-8-23(36)28-26(19)30(31,29(38-28)27(21)34-22)9-11-35(24)16-17-3-4-17/h5-8,12,17,24,29,34,36-37H,2-4,9-11,13-16H2,1H3,(H2,32,33)/t24?,29-,30-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	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
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