Target
Neurotensin receptor type 1
Ligand
BDBM466505
Substrate
n/a
Meas. Tech.
Functional Ca2+ Mobilisation Assay
IC50
12.6±n/a nM
Citation
 Osterkamp, FHaase, CReineke, USmerling, CPaschke, MUngewiß, 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:
BDBM466505
Synonyms:
US10799605, Example 19
Type:
Small organic molecule
Emp. Form.:
C57H82N10O13
Mol. Mass.:
1115.3202
SMILES:
COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(CCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)CCCN(C)C)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O |TLB:77:67:76:72.74.71,73:72:76:69.67.68,73:68:76:72.74.71,THB:66:67:76:72.74.71,67:75:69.73.68:71,67:68:76.74.75:71,(-10.5,7.02,;-9.41,5.93,;-9.8,4.44,;-11.29,4.04,;-11.69,2.56,;-10.6,1.47,;-9.11,1.86,;-8.03,.78,;-8.42,-.71,;-8.72,3.35,;-7.23,3.75,;-6.75,5.22,;-5.21,5.22,;-4.74,3.75,;-5.98,2.85,;-5.98,1.31,;-7.32,.54,;-7.32,-1,;-5.98,-1.77,;-4.65,-1,;-4.65,.54,;-3.32,1.31,;-3.32,2.85,;-1.98,.54,;-5.98,-3.31,;-7.32,-4.08,;-4.65,-4.08,;-3.32,-3.31,;-1.98,-4.08,;-.65,-3.31,;.69,-4.08,;2.02,-3.31,;2.02,-1.77,;3.56,-3.31,;4.65,-4.4,;5.42,-3.07,;6.96,-3.07,;7.73,-4.4,;9.06,-3.63,;8.29,-2.3,;6.75,-2.3,;8.69,-.81,;9.06,-5.17,;9.06,-6.71,;7.73,-7.48,;8.82,-8.57,;10.15,-7.8,;10.15,-6.26,;11.69,-7.8,;6.96,-8.82,;5.42,-8.82,;4.65,-7.48,;3.88,-8.82,;4.65,-10.15,;6.19,-10.15,;3.88,-11.48,;3.31,-6.71,;3.31,-5.17,;-4.65,-5.62,;-3.32,-6.39,;-3.32,-7.93,;-1.98,-8.7,;-1.98,-10.24,;-.65,-7.93,;-4.12,6.3,;-4.52,7.79,;-2.64,5.91,;-1.55,6.99,;-1.23,8.49,;-2.5,9.25,;-3.25,10.59,;-2.16,11.48,;-.86,10.92,;-.09,9.58,;-1.23,9.42,;-2.32,8.33,;-3.65,9.11,;-.21,6.22,;-.21,4.68,;1.12,6.99,)|
Structure:
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