BDBM50413711 CHEMBL457997

SMILES: COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cn1)-c1ccccc1)c1ccc(OC)nc1

InChI Key: InChIKey=NGCKJOYCXUOKQN-UHFFFAOYSA-N

Data: 1 KI

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 = 50413711   

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
Oxytocin receptor (Homo sapiens (Human))	BDBM50413711 (CHEMBL457997) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cn1)-c1ccccc1)c1ccc(OC)nc1 Show InChI InChI=1S/C25H23N3O4S/c1-31-23-11-13-24(14-12-23)33(29,30)28(22-10-15-25(32-2)27-17-22)18-21-9-8-20(16-26-21)19-6-4-3-5-7-19/h3-17H,18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human recombinant oxytocin receptor expressed in CHO cells by fluorescence polarization assay				Bioorg Med Chem Lett 19: 528-32 (2008) Article DOI: 10.1016/j.bmcl.2008.11.018 BindingDB Entry DOI: 10.7270/Q2N29Z5F
					More data for this Ligand-Target Pair