Reaction Details Report a problem with these data
Target
Neurotensin receptor type 1
Ligand
BDBM466502
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay NTR1
IC50
3.00±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:
BDBM466502
Synonyms:
US10799605, Example 13
Type:
Small organic molecule
Emp. Form.:
C75H110N14O14S2
Mol. Mass.:
1495.891
SMILES:
COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)CCCN(C)C(=S)Nc1ccc(NC(=S)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(C)=O)cc1)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O |TLB:91:92:94:97.98.96,THB:92:93:100.101.99:96,92:100:94.93.98:96,99:100:94:97.98.96,99:97:94:92.100.101,102:92:94:97.98.96,(-20.33,6.06,;-19.24,4.97,;-19.64,3.48,;-21.13,3.09,;-21.53,1.6,;-20.44,.51,;-18.95,.91,;-17.86,-.18,;-18.26,-1.67,;-18.55,2.39,;-17.06,2.79,;-16.59,4.26,;-15.05,4.26,;-14.57,2.79,;-15.82,1.89,;-15.82,.35,;-17.15,-.42,;-17.15,-1.96,;-15.82,-2.73,;-14.48,-1.96,;-14.48,-.42,;-13.15,.35,;-11.82,-.42,;-13.15,1.89,;-15.82,-4.27,;-17.15,-5.04,;-14.48,-5.04,;-14.48,-6.58,;-13.15,-4.27,;-11.82,-5.04,;-10.48,-4.27,;-9.15,-5.04,;-9.15,-6.58,;-7.82,-4.27,;-6.48,-5.04,;-5.15,-4.27,;-3.81,-5.04,;-3.81,-6.58,;-2.48,-4.27,;-2.48,-2.73,;-1.15,-5.04,;.19,-4.27,;1.52,-5.04,;2.85,-4.27,;2.85,-2.73,;4.19,-1.96,;5.52,-2.73,;5.52,-4.27,;6.86,-1.96,;8.19,-1.19,;9.52,-1.96,;10.86,-1.19,;12.19,-1.96,;12.19,-3.5,;13.52,-4.27,;14.86,-3.5,;13.52,-5.81,;12.19,-6.58,;14.86,-6.58,;14.86,-8.12,;16.19,-8.89,;16.19,-10.43,;17.52,-8.12,;18.86,-8.89,;20.19,-8.12,;20.19,-6.58,;21.53,-5.81,;21.53,-4.27,;20.19,-3.5,;18.86,-4.27,;20.19,-1.96,;21.53,-1.19,;18.86,-1.19,;18.86,.35,;20.19,1.12,;21.53,.35,;20.19,2.66,;18.86,3.43,;17.52,2.66,;16.19,3.43,;14.86,2.66,;14.86,1.12,;13.52,.35,;13.52,-1.19,;12.19,1.12,;10.86,.35,;12.19,2.66,;1.52,-1.96,;.19,-2.73,;-13.96,5.35,;-14.36,6.83,;-12.47,4.95,;-11.38,6.04,;-12.03,7.44,;-13.29,8.31,;-12.78,9.77,;-11.39,10.43,;-10.07,9.78,;-10.71,8.38,;-9.55,8.33,;-10.87,7.49,;-12.14,8.37,;-10.05,5.27,;-10.05,3.62,;-8.71,6.04,)|
Structure:
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