BDBM50072359 1-{1-[2-Methoxy-4-((S)-1-pyridin-4-yl-ethoxy)-benzoyl]-piperidin-4-yl}-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL105673

SMILES: COc1cc(O[C@@H](C)c2ccncc2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12

InChI Key: InChIKey=RBQFEXQGZPKVGQ-IBGZPJMESA-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 = 50072359   

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))	BDBM50072359 (1-{1-[2-Methoxy-4-((S)-1-pyridin-4-yl-ethoxy)-benz...) Show SMILES COc1cc(O[C@@H](C)c2ccncc2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C28H29N3O5/c1-19(20-9-13-29-14-10-20)36-23-7-8-24(26(17-23)34-2)27(32)30-15-11-22(12-16-30)31-25-6-4-3-5-21(25)18-35-28(31)33/h3-10,13-14,17,19,22H,11-12,15-16,18H2,1-2H3/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against cloned human oxytocin receptor from human embryonic kidney cells				Bioorg Med Chem Lett 8: 3081-6 (1999) Article DOI: 10.1016/S0960-894X(98)00568-X BindingDB Entry DOI: 10.7270/Q298865X
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