BDBM50413720 CHEMBL515975

SMILES: COc1ccc(cn1)N(Cc1ccc(cn1)-c1ccccc1C)S(=O)(=O)c1cn(C)cn1

InChI Key: InChIKey=OOTJIJWBKDCQFY-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 = 50413720   

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))	BDBM50413720 (CHEMBL515975) Show SMILES COc1ccc(cn1)N(Cc1ccc(cn1)-c1ccccc1C)S(=O)(=O)c1cn(C)cn1 Show InChI InChI=1S/C23H23N5O3S/c1-17-6-4-5-7-21(17)18-8-9-19(24-12-18)14-28(20-10-11-22(31-3)25-13-20)32(29,30)23-15-27(2)16-26-23/h4-13,15-16H,14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.6	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