BindingDB logo
myBDB logout

BDBM50077038 1-{1-[2-(2,4-Dimethoxy-phenyl)-acetyl]-piperidin-4-yl}-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL26877

SMILES: COc1ccc(CC(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(OC)c1

InChI Key: InChIKey=PFBDPKQLEODGQE-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 = 50077038   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Oxytocin receptor


(HEK293)
BDBM50077038
PNG
(1-{1-[2-(2,4-Dimethoxy-phenyl)-acetyl]-piperidin-4...)
Show SMILES COc1ccc(CC(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(OC)c1
Show InChI InChI=1S/C23H26N2O5/c1-28-19-8-7-16(21(14-19)29-2)13-22(26)24-11-9-18(10-12-24)25-20-6-4-3-5-17(20)15-30-23(25)27/h3-8,14,18H,9-13,15H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
33n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human oxytocin receptor


Bioorg Med Chem Lett 9: 1311-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00181-x
BindingDB Entry DOI: 10.7270/Q23N22K9
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50077038
PNG
(1-{1-[2-(2,4-Dimethoxy-phenyl)-acetyl]-piperidin-4...)
Show SMILES COc1ccc(CC(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(OC)c1
Show InChI InChI=1S/C23H26N2O5/c1-28-19-8-7-16(21(14-19)29-2)13-22(26)24-11-9-18(10-12-24)25-20-6-4-3-5-17(20)15-30-23(25)27/h3-8,14,18H,9-13,15H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
37n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat uterine oxytocin receptor (rOTr)


Bioorg Med Chem Lett 9: 1311-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00181-x
BindingDB Entry DOI: 10.7270/Q23N22K9
More data for this
Ligand-Target Pair