BDBM50413707 CHEMBL515384

SMILES: COc1ccc(cn1)N(Cc1nc(cs1)-c1ccccc1)S(=O)(=O)c1ccccn1

InChI Key: InChIKey=OVIDPZAVLGFRQA-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 = 50413707   

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))	BDBM50413707 (CHEMBL515384) Show SMILES COc1ccc(cn1)N(Cc1nc(cs1)-c1ccccc1)S(=O)(=O)c1ccccn1 Show InChI InChI=1S/C21H18N4O3S2/c1-28-19-11-10-17(13-23-19)25(30(26,27)21-9-5-6-12-22-21)14-20-24-18(15-29-20)16-7-3-2-4-8-16/h2-13,15H,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	39.8	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