Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50327250'   

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))	BDBM50327250 (CHEMBL1257938 | endo-3-(8-(2-methylbenzyl)-8-azabi...) Show SMILES Cc1ccccc1CN1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O |r,TLB:7:8:14.13.15:11.10| Show InChI InChI=1S/C22H26N2O2/c1-15-5-2-3-6-17(15)14-24-18-9-10-19(24)13-21(12-18)26-20-8-4-7-16(11-20)22(23)25/h2-8,11,18-19,21H,9-10,12-14H2,1H3,(H2,23,25)/t18-,19+,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding				Bioorg Med Chem Lett 20: 5847-52 (2010) Article DOI: 10.1016/j.bmcl.2010.07.113 BindingDB Entry DOI: 10.7270/Q23F4PV1
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