BDBM50064722 1-(1-{2-Methoxy-4-[1-(4-methyl-1-oxy-pyridin-3-ylmethyl)-piperidin-4-yloxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL303487

SMILES: COc1cc(OC2CCN(Cc3c[n+]([O-])ccc3C)CC2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12

InChI Key: InChIKey=GYAHVWAMDVYWNR-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 = 50064722   

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))	BDBM50064722 (1-(1-{2-Methoxy-4-[1-(4-methyl-1-oxy-pyridin-3-ylm...) Show SMILES COc1cc(OC2CCN(Cc3c[n+]([O-])ccc3C)CC2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C33H38N4O6/c1-23-9-18-36(40)21-25(23)20-34-14-12-27(13-15-34)43-28-7-8-29(31(19-28)41-2)32(38)35-16-10-26(11-17-35)37-30-6-4-3-5-24(30)22-42-33(37)39/h3-9,18-19,21,26-27H,10-17,20,22H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	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 for cloned human oxytocin receptor (OT-R)				J Med Chem 41: 2146-63 (1998) Article DOI: 10.1021/jm9800797 BindingDB Entry DOI: 10.7270/Q2SN083Z
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50064722 (1-(1-{2-Methoxy-4-[1-(4-methyl-1-oxy-pyridin-3-ylm...) Show SMILES COc1cc(OC2CCN(Cc3c[n+]([O-])ccc3C)CC2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C33H38N4O6/c1-23-9-18-36(40)21-25(23)20-34-14-12-27(13-15-34)43-28-7-8-29(31(19-28)41-2)32(38)35-16-10-26(11-17-35)37-30-6-4-3-5-24(30)22-42-33(37)39/h3-9,18-19,21,26-27H,10-17,20,22H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	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 for rat oxytocin receptor (OT-R)				J Med Chem 41: 2146-63 (1998) Article DOI: 10.1021/jm9800797 BindingDB Entry DOI: 10.7270/Q2SN083Z
					More data for this Ligand-Target Pair