Reaction Details Report a problem with these data
Target
Neurotensin receptor type 1
Ligand
BDBM466501
Substrate
n/a
Meas. Tech.
Functional Ca2+ Mobilisation Assay
IC50
21.4±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:
BDBM466501
Synonyms:
US10799605, Example 12
Type:
Small organic molecule
Emp. Form.:
C71H107N11O18
Mol. Mass.:
1402.6722
SMILES:
COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)CCCN(C)C(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)CCC(N1CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(O)=O)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O |TLB:86:87:89:92.93.91,THB:87:88:95.96.94:91,87:95:89.88.93:91,94:95:89:92.93.91,94:92:89:87.95.96,97:87:89:92.93.91,(-12.72,2.45,;-11.95,1.11,;-12.72,-.22,;-14.26,-.22,;-15.03,-1.56,;-14.26,-2.89,;-12.72,-2.89,;-11.95,-4.22,;-12.72,-5.56,;-11.95,-1.56,;-10.41,-1.56,;-9.94,-.09,;-8.4,-.09,;-7.92,-1.56,;-9.17,-2.46,;-9.17,-4,;-10.5,-4.77,;-10.5,-6.31,;-9.17,-7.08,;-7.84,-6.31,;-7.84,-4.77,;-6.5,-4,;-5.17,-4.77,;-6.5,-2.46,;-9.17,-8.62,;-10.5,-9.39,;-7.84,-9.39,;-7.84,-10.93,;-6.5,-8.62,;-5.17,-9.39,;-3.83,-8.62,;-2.5,-9.39,;-2.5,-10.93,;-1.17,-8.62,;.17,-9.39,;1.5,-8.62,;2.83,-9.39,;2.83,-10.93,;4.17,-8.62,;5.5,-9.39,;4.17,-7.08,;5.5,-6.31,;6.84,-7.08,;6.84,-8.62,;8.17,-6.31,;8.17,-4.77,;6.84,-4,;5.5,-4.77,;4.17,-4,;2.83,-4.77,;1.5,-4,;1.5,-2.46,;2.83,-1.69,;4.17,-2.46,;5.5,-1.69,;6.84,-2.46,;8.17,-1.69,;9.5,-2.46,;10.84,-1.69,;10.84,-.15,;12.38,-.15,;10.07,1.18,;8.53,1.18,;7.76,2.52,;8.52,3.85,;7.18,4.62,;7.17,6.16,;8.5,6.93,;7.72,8.26,;8.49,9.6,;7.71,10.93,;10.03,9.6,;9.83,7.71,;11.17,6.95,;11.18,5.41,;12.72,5.42,;13.49,4.09,;15.03,4.09,;12.73,2.75,;11.19,3.87,;9.86,3.09,;6.22,2.53,;5.45,1.19,;5.44,3.85,;-7.31,1,;-7.71,2.49,;-5.82,.6,;-4.73,1.69,;-5.38,3.09,;-6.64,3.96,;-6.13,5.42,;-4.74,6.08,;-3.42,5.43,;-4.06,4.03,;-2.9,3.98,;-4.22,3.14,;-5.49,4.02,;-3.4,.92,;-2.63,-.42,;-2.07,1.69,)|
Structure:
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