BDBM50413724 CHEMBL459073

SMILES: COc1ccc(cc1)N(Cc1cc2cccc3CCCn(c23)c1=O)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=JEAVHKAWHCUPHJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50413724   

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))	BDBM50413724 (CHEMBL459073) Show SMILES COc1ccc(cc1)N(Cc1cc2cccc3CCCn(c23)c1=O)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H24N2O4S/c1-32-23-14-12-22(13-15-23)28(33(30,31)24-10-3-2-4-11-24)18-21-17-20-8-5-7-19-9-6-16-27(25(19)20)26(21)29/h2-5,7-8,10-15,17H,6,9,16,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human recombinant oxytocin receptor expressed in CHO cells by FLIPR 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
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50413724 (CHEMBL459073) Show SMILES COc1ccc(cc1)N(Cc1cc2cccc3CCCn(c23)c1=O)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H24N2O4S/c1-32-23-14-12-22(13-15-23)28(33(30,31)24-10-3-2-4-11-24)18-21-17-20-8-5-7-19-9-6-16-27(25(19)20)26(21)29/h2-5,7-8,10-15,17H,6,9,16,18H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human recombinant vasopressin V1a receptor expressed in CHO cells by FLIPR 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