BDBM50002413 CHEMBL372554

SMILES: CC(C)C[C@H]1N([C@@H](C(=O)NC(C)(C)C)c2ccc(NC(C)=O)cc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1

InChI Key: InChIKey=AUWMENUQFJRYPU-ZONZVBGPSA-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 = 50002413   

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))	BDBM50002413 (CHEMBL372554) Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)(C)C)c2ccc(NC(C)=O)cc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 Show InChI InChI=1S/C31H40N4O4/c1-18(2)15-25-28(37)33-26(23-16-21-9-7-8-10-22(21)17-23)30(39)35(25)27(29(38)34-31(4,5)6)20-11-13-24(14-12-20)32-19(3)36/h7-14,18,23,25-27H,15-17H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)/t25-,26-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human Oxytocin receptor				J Med Chem 48: 6956-69 (2005) Checked by Author Article DOI: 10.1021/jm050557v BindingDB Entry DOI: 10.7270/Q2TX3GWZ
					More data for this Ligand-Target Pair