Reaction Details Report a problem with these data
Target
Neurotensin receptor type 1
Ligand
BDBM50130895
Substrate
n/a
Meas. Tech.
ChEMBL_144289 (CHEMBL754790)
IC50
0.3±n/a nM
Citation
 Achilefu, S; Srinivasan, A; Schmidt, MA; Jimenez, HN; Bugaj, JE; Erion, JL Novel bioactive and stable neurotensin peptide analogues capable of delivering radiopharmaceuticals and molecular beacons to tumors. J Med Chem 46:3403-11 (2003) [PubMed]  Article 
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:
BDBM50130895
Synonyms:
CHEMBL408127 | DTPA-Cha(tr-4-Mam)-Pro-Arg-Gly(PipAm)-Arg-Pro-Tyr-tBuGly-Leu-OH
Type:
Small organic molecule
Emp. Form.:
C69H112N18O19
Mol. Mass.:
1497.7368
SMILES:
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCC(CN)CC1)NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C1CCN(CC1)C(N)=N)C(C)(C)C)C(O)=O |wU:46.47,12.21,31.40,4.4,wD:24.24,8.8,42.44,53.66,(36.58,-11.51,;35.24,-10.76,;35.24,-9.23,;33.89,-11.51,;33.89,-13.01,;32.54,-13.78,;31.18,-13.01,;31.18,-11.51,;29.83,-13.78,;28.49,-13.01,;27.15,-13.78,;27.15,-15.29,;25.79,-13.01,;25.79,-11.51,;24.68,-10.44,;25.31,-9.06,;24.42,-7.85,;22.86,-7.99,;21.93,-6.76,;22.22,-9.38,;23.13,-10.6,;24.45,-13.77,;23.08,-13.01,;23.08,-11.51,;21.76,-13.77,;22.23,-15.21,;20.97,-16.11,;19.73,-15.21,;20.2,-13.77,;18.85,-14.52,;18.83,-16.05,;17.51,-13.76,;17.51,-12.25,;16.17,-11.48,;16.19,-9.96,;14.84,-9.19,;14.85,-7.66,;13.51,-6.9,;16.2,-6.92,;16.14,-14.5,;14.8,-13.73,;14.82,-12.21,;13.44,-14.47,;12.1,-13.72,;10.76,-14.49,;10.76,-16.01,;9.41,-13.73,;9.48,-12.22,;8.02,-11.67,;7.05,-12.85,;7.9,-14.13,;6.54,-13.37,;6.54,-11.86,;5.19,-14.14,;5.19,-15.65,;3.85,-16.42,;2.31,-16.72,;2.4,-18.45,;1.59,-19.49,;.28,-20.31,;.36,-21.82,;3.13,-19.19,;3.07,-17.4,;3.84,-13.39,;2.5,-14.14,;2.5,-15.68,;1.13,-13.4,;-.21,-14.14,;-1.55,-13.4,;-2.93,-14.14,;-4.25,-13.4,;-5.62,-14.14,;-6.96,-13.4,;-8.3,-14.14,;-8.3,-15.68,;-9.68,-16.44,;-11.02,-15.68,;-9.68,-17.95,;-9.68,-13.4,;-9.68,-11.88,;-8.3,-11.11,;-11.02,-11.11,;-4.25,-11.88,;-5.62,-11.11,;-5.62,-9.58,;-6.96,-11.88,;-.21,-15.68,;-1.55,-16.44,;-2.93,-15.68,;-1.55,-17.95,;13.43,-16,;14.77,-16.75,;14.76,-18.26,;13.4,-19.01,;12.05,-18.26,;12.07,-16.72,;13.4,-20.53,;14.74,-21.3,;12.05,-21.27,;29.83,-15.29,;31.18,-16.05,;28.49,-16.05,;29.83,-16.8,;35.24,-13.78,;36.58,-13.01,;35.23,-15.29,)|
Structure:
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