Reaction Details Report a problem with these data
Target
Neurotensin receptor type 1
Ligand
BDBM50444947
Substrate
n/a
Meas. Tech.
ChEMBL_1281497 (CHEMBL3101955)
EC50
2300±n/a nM
Citation
 Hershberger, PM; Hedrick, MP; Peddibhotla, S; Mangravita-Novo, A; Gosalia, P; Li, Y; Gray, W; Vicchiarelli, M; Smith, LH; Chung, TD; Thomas, JB; Caron, MG; Pinkerton, AB; Barak, LS; Roth, GP Imidazole-derived agonists for the neurotensin 1 receptor. Bioorg Med Chem Lett 24:262-7 (2013) [PubMed]  Article 
Target
Name:
Neurotensin receptor type 1
Synonyms:
Dopamine receptor D2L/neurotensin receptor NTS1 | NTR1_HUMAN | NTRR | NTSR1 | Neurotensin receptor 1 | neurotensin receptor type 1
Type:
PROTEIN
Mol. Mass.:
46278.89
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1453811
Residue:
418
Sequence:
MRLNSSAPGTPGTPAADPFQRAQAGLEEALLAPGFGNASGNASERVLAAPSSELDVNTDIYSKVLVTAVYLALFVVGTVGNTVTAFTLARKKSLQSLQSTVHYHLGSLALSDLLTLLLAMPVELYNFIWVHHPWAFGDAGCRGYYFLRDACTYATALNVASLSVERYLAICHPFKAKTLMSRSRTKKFISAIWLASALLAVPMLFTMGEQNRSADGQHAGGLVCTPTIHTATVKVVIQVNTFMSFIFPMVVISVLNTIIANKLTVMVRQAAEQGQVCTVGGEHSTFSMAIEPGRVQALRHGVRVLRAVVIAFVVCWLPYHVRRLMFCYISDEQWTPFLYDFYHYFYMVTNALFYVSSTINPILYNLVSANFRHIFLATLACLCPVWRRRRKRPAFSRKADSVSSNHTLSSNATRETLY
  
Inhibitor
Name:
BDBM50444947
Synonyms:
CHEMBL3099769
Type:
Small organic molecule
Emp. Form.:
C28H29N3O5
Mol. Mass.:
487.547
SMILES:
COc1cccc(OC)c1-c1nc(cn1-c1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wD:28.31,(47.17,-40.68,;48.31,-39.64,;47.98,-38.14,;46.52,-37.67,;46.19,-36.16,;47.33,-35.12,;48.8,-35.6,;49.94,-34.57,;49.62,-33.06,;49.12,-37.11,;50.58,-37.58,;51.06,-39.04,;52.6,-39.04,;53.07,-37.57,;51.83,-36.67,;51.82,-35.13,;50.49,-34.36,;50.49,-32.81,;51.82,-32.04,;53.15,-32.81,;54.47,-32.03,;55.81,-32.79,;55.83,-34.34,;54.49,-35.11,;53.16,-34.35,;53.5,-40.28,;52.88,-41.69,;55.03,-40.12,;55.94,-41.36,;55.32,-42.77,;56.23,-44.01,;55.6,-45.42,;57.76,-43.85,;57.47,-41.2,;58.39,-42.44,;58.1,-39.79,)|
Structure:
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