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Target
Oxytocin receptor
Ligand
BDBM50064730
Substrate
n/a
Meas. Tech.
ChEMBL_149043 (CHEMBL762236)
Ki
2.5±n/a nM
Citation
Bell, IM; Erb, JM; Freidinger, RM; Gallicchio, SN; Guare, JP; Guidotti, MT; Halpin, RA; Hobbs, DW; Homnick, CF; Kuo, MS; Lis, EV; Mathre, DJ; Michelson, SR; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Vickers, S; Williams, PD; Woyden, CJ Development of orally active oxytocin antagonists: studies on 1-(1-[4-[1-(2-methyl-1-oxidopyridin-3-ylmethyl)piperidin-4-yloxy]-2- methoxybenzoyl]piperidin-4-yl)-1,4-dihydrobenz[d][1,3]oxazin-2-one (L-372,662) and related pyridines. J Med Chem 41:2146-63 (1998) [PubMed] Article
More Info.:
Target
Name:
Oxytocin receptor
Synonyms:
OT-R | OXTR | OXYR_HUMAN | Oxytocin
Type:
Enzyme Catalytic Domain
Mol. Mass.:
42793.26
Organism:
Human
Description:
Oxytocin OXTR HEK293::B2R9L7
Residue:
389
Sequence:
MEGALAANWSAEAANASAAPPGAEGNRTAGPPRRNEALARVEVAVLCLILLLALSGNACVLLALRTTRQKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLATWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYITWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAEAPEGAAAGDGGRVALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDANAPKEASAFIIVMLLASLNSCCNPWIYMLFTGHLFHELVQRFLCCSASYLKGRRLGETSASKKSNSSSFVLSHRSSSQRSCSQPSTA
Inhibitor
Name:
BDBM50064730
Synonyms:
1-(1-{2-Methoxy-4-[1-(1-oxy-2-propyl-pyridin-3-ylmethyl)-piperidin-4-yloxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one | CHEMBL69202
Type:
Small organic molecule
Emp. Form.:
C35H42N4O6
Mol. Mass.:
614.7312
SMILES:
CCCc1c(CN2CCC(CC2)Oc2ccc(C(=O)N3CCC(CC3)N3C(=O)OCc4ccccc34)c(OC)c2)ccc[n+]1[O-]