BDBM50100380 5-Oxo-hexanoic acid (1-{[(S)-1-carbamoyl-2-(3,4-dichloro-phenyl)-ethylcarbamoyl]-methyl}-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[b]azepin-3-yl)-amide::5-Oxo-hexanoic acid (1-{[(S)-1-carbamoyl-2-(3,4-dichloro-phenyl)-ethylcarbamoyl]-methyl}-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide::CHEMBL284120

SMILES: CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O

InChI Key: InChIKey=BADTYUHLCFJVTK-ZGAORZAOSA-N

Data: 1 KI  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 2 hits for monomerid = 50100380   

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))	BDBM50100380 (5-Oxo-hexanoic acid (1-{[(S)-1-carbamoyl-2-(3,4-di...) Show SMILES CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O |t:10| Show InChI InChI=1S/C32H31Cl2N5O5/c1-19(40)8-7-13-27(41)37-31-32(44)39(26-12-6-5-11-22(26)29(38-31)21-9-3-2-4-10-21)18-28(42)36-25(30(35)43)17-20-14-15-23(33)24(34)16-20/h2-6,9-12,14-16,25,31H,7-8,13,17-18H2,1H3,(H2,35,43)(H,36,42)(H,37,41)/t25-,31?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of binding of [3H]oxytocin with human oxytocin receptor				Bioorg Med Chem Lett 11: 1301-5 (2001) BindingDB Entry DOI: 10.7270/Q27H1MS3
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50100380 (5-Oxo-hexanoic acid (1-{[(S)-1-carbamoyl-2-(3,4-di...) Show SMILES CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O |t:10| Show InChI InChI=1S/C32H31Cl2N5O5/c1-19(40)8-7-13-27(41)37-31-32(44)39(26-12-6-5-11-22(26)29(38-31)21-9-3-2-4-10-21)18-28(42)36-25(30(35)43)17-20-14-15-23(33)24(34)16-20/h2-6,9-12,14-16,25,31H,7-8,13,17-18H2,1H3,(H2,35,43)(H,36,42)(H,37,41)/t25-,31?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	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