Reaction Details Report a problem with these data
Target
Neurotensin receptor type 1
Ligand
BDBM466504
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay NTR1
IC50
5.30±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:
BDBM466504
Synonyms:
US10799605, Example 18
Type:
Small organic molecule
Emp. Form.:
C41H56N6O6
Mol. Mass.:
728.9199
SMILES:
COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(CCCN)CCCN(C)C)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O |TLB:50:40:49:45.47.44,46:45:49:42.40.41,46:41:49:45.47.44,THB:39:40:49:45.47.44,40:48:42.46.41:44,40:41:49.47.48:44,(-5.21,6.4,;-4.12,5.31,;-4.52,3.82,;-6.01,3.42,;-6.41,1.94,;-5.32,.85,;-3.83,1.24,;-2.74,.16,;-3.14,-1.33,;-3.43,2.73,;-1.94,3.13,;-1.47,4.6,;.07,4.6,;.55,3.13,;-.7,2.23,;-.7,.69,;-2.03,-.08,;-2.03,-1.62,;-.7,-2.39,;.64,-1.62,;.64,-.08,;1.97,.69,;1.97,2.23,;3.3,-.08,;-.7,-3.93,;-2.03,-4.7,;.64,-4.7,;1.97,-3.93,;3.3,-4.7,;4.64,-3.93,;5.97,-4.7,;.64,-6.24,;1.97,-7.01,;1.97,-8.55,;3.3,-9.32,;3.3,-10.86,;4.64,-8.55,;1.16,5.68,;.76,7.17,;2.65,5.29,;3.74,6.37,;4.05,7.87,;2.79,8.63,;2.04,9.97,;3.13,10.86,;4.43,10.3,;5.2,8.96,;4.05,8.8,;2.97,7.71,;1.64,8.49,;5.07,5.6,;5.07,4.06,;6.41,6.37,)|
Structure:
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