BDBM50100381 5-Oxo-hexanoic acid {1-[((S)-1-carbamoyl-2-thiophen-2-yl-ethylcarbamoyl)-methyl]-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[b]azepin-3-yl}-amide::CHEMBL285608

SMILES: CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2cccs2)C(N)=O)C1=O

InChI Key: InChIKey=JRKMSSIREGTHDQ-QASNXKAYSA-N

Data: 1 IC50

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 = 50100381   

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))	BDBM50100381 (5-Oxo-hexanoic acid {1-[((S)-1-carbamoyl-2-thiophe...) Show SMILES CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2cccs2)C(N)=O)C1=O |t:10| Show InChI InChI=1S/C30H31N5O5S/c1-19(36)9-7-15-25(37)33-29-30(40)35(18-26(38)32-23(28(31)39)17-21-12-8-16-41-21)24-14-6-5-13-22(24)27(34-29)20-10-3-2-4-11-20/h2-6,8,10-14,16,23,29H,7,9,15,17-18H2,1H3,(H2,31,39)(H,32,38)(H,33,37)/t23-,29?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibitory concentration required for antagonist activity against oxytocin receptor				Bioorg Med Chem Lett 11: 1297-300 (2001) BindingDB Entry DOI: 10.7270/Q2T72GQF
					More data for this Ligand-Target Pair