BDBM50413710 CHEMBL514113

SMILES: COc1ccc(cc1)N(Cc1csc(n1)-c1ccccc1)S(=O)(=O)c1ccccn1

InChI Key: InChIKey=YXQWPYONLPPHHE-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 = 50413710   

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))	BDBM50413710 (CHEMBL514113) Show SMILES COc1ccc(cc1)N(Cc1csc(n1)-c1ccccc1)S(=O)(=O)c1ccccn1 Show InChI InChI=1S/C22H19N3O3S2/c1-28-20-12-10-19(11-13-20)25(30(26,27)21-9-5-6-14-23-21)15-18-16-29-22(24-18)17-7-3-2-4-8-17/h2-14,16H,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	63.1	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