BDBM50272498 3-(2-(4-(5-bromo-2-methoxyphenylsulfonyl)-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl)-2-oxoethyl)-5-chlorobenzo[d]oxazol-2(3H)-one::CHEMBL525554

SMILES: COc1ccc(Br)cc1S(=O)(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cn1c2cc(Cl)ccc2oc1=O

InChI Key: InChIKey=KUVFWLMOALDROB-UHFFFAOYSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50272498   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50272498 (3-(2-(4-(5-bromo-2-methoxyphenylsulfonyl)-2-(pyrro...) Show SMILES COc1ccc(Br)cc1S(=O)(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cn1c2cc(Cl)ccc2oc1=O Show InChI InChI=1S/C25H28BrClN4O6S/c1-36-22-6-4-17(26)12-23(22)38(34,35)29-10-11-30(19(15-29)14-28-8-2-3-9-28)24(32)16-31-20-13-18(27)5-7-21(20)37-25(31)33/h4-7,12-13,19H,2-3,8-11,14-16H2,1H3	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	n/a	n/a	790	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in CHO-K1 cells by [35S]GTPgamma binding assay				Bioorg Med Chem Lett 18: 4470-3 (2008) Article DOI: 10.1016/j.bmcl.2008.07.067 BindingDB Entry DOI: 10.7270/Q2TH8MHF
					More data for this Ligand-Target Pair