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Target
Neurotensin receptor type 1
Ligand
BDBM466500
Substrate
n/a
Meas. Tech.
Functional Ca2+ Mobilisation Assay
IC50
20.0±n/a nM
Citation
 Osterkamp, F; Haase, C; Reineke, U; Smerling, C; Paschke, M; Ungewiß, J Conjugate comprising a neurotensin receptor ligand and use thereof US Patent  US10799605 Publication Date 10/13/2020 
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:
BDBM466500
Synonyms:
US10799605, Example 5
Type:
Small organic molecule
Emp. Form.:
C58H84N10O13
Mol. Mass.:
1129.3468
SMILES:
COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)CCCN(C)C(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O |TLB:67:68:70:73.74.72,THB:75:76:70:73.74.72,75:73:70:68.76.77,78:68:70:73.74.72,68:69:76.77.75:72,68:76:70.69.74:72,(-13.42,6.92,;-12.33,5.83,;-12.73,4.34,;-14.22,3.94,;-14.62,2.45,;-13.53,1.36,;-12.04,1.76,;-10.95,.67,;-11.35,-.81,;-11.64,3.25,;-10.15,3.65,;-9.68,5.11,;-8.14,5.11,;-7.66,3.65,;-8.91,2.74,;-8.91,1.2,;-10.24,.43,;-10.24,-1.11,;-8.91,-1.88,;-7.57,-1.11,;-7.57,.43,;-6.24,1.2,;-4.91,.43,;-6.24,2.74,;-8.91,-3.42,;-10.24,-4.19,;-7.57,-4.19,;-7.57,-5.73,;-6.24,-3.42,;-4.91,-4.19,;-3.57,-3.42,;-2.24,-4.19,;-2.24,-5.73,;-.91,-3.42,;.43,-4.19,;1.76,-3.42,;3.1,-4.19,;3.1,-5.73,;4.43,-3.42,;4.43,-1.88,;5.97,-3.42,;7.3,-4.19,;8.1,-2.87,;9.68,-2.86,;10.4,-4.18,;11.17,-2.85,;10.4,-1.51,;8.86,-1.51,;11.17,-.18,;11.7,-4.95,;11.72,-6.52,;10.41,-7.28,;11.74,-8.05,;13.08,-7.28,;13.08,-5.74,;14.62,-7.28,;9.59,-8.6,;8.01,-8.61,;7.31,-7.29,;6.54,-8.62,;7.31,-9.95,;8.85,-9.95,;6.54,-11.29,;6.03,-6.49,;6.01,-4.91,;-7.05,6.2,;-7.45,7.69,;-5.56,5.8,;-4.47,6.89,;-5.12,8.29,;-6.38,9.17,;-5.87,10.62,;-4.48,11.29,;-3.16,10.64,;-3.8,9.24,;-2.64,9.19,;-3.96,8.35,;-5.23,9.22,;-3.14,6.12,;-3.14,4.58,;-1.81,6.89,)|
Structure:
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