Ki Summary

Reaction Details

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Target

Neurotensin receptor type 1

Ligand

BDBM50257199

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_562549 (CHEMBL1014541)

IC50

842±n/a nM

Citation

Orwig, KS; Lassetter, MR; Hadden, MK; Dix, TA Comparison of N-terminal modifications on neurotensin(8-13) analogues correlates peptide stability but not binding affinity with in vivo efficacy. J Med Chem52:1803-13 (2009) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Neurotensin receptor type 1

Name:

Neurotensin receptor type 1

Synonyms:

Type:

PROTEIN

Mol. Mass.:

46278.89

Organism:

Homo sapiens (Human)

Description:

ChEMBL_1453811

Residue:

418

Sequence:

MRLNSSAPGTPGTPAADPFQRAQAGLEEALLAPGFGNASGNASERVLAAPSSELDVNTDI
YSKVLVTAVYLALFVVGTVGNTVTAFTLARKKSLQSLQSTVHYHLGSLALSDLLTLLLAM
PVELYNFIWVHHPWAFGDAGCRGYYFLRDACTYATALNVASLSVERYLAICHPFKAKTLM
SRSRTKKFISAIWLASALLAVPMLFTMGEQNRSADGQHAGGLVCTPTIHTATVKVVIQVN
TFMSFIFPMVVISVLNTIIANKLTVMVRQAAEQGQVCTVGGEHSTFSMAIEPGRVQALRH
GVRVLRAVVIAFVVCWLPYHVRRLMFCYISDEQWTPFLYDFYHYFYMVTNALFYVSSTIN
PILYNLVSANFRHIFLATLACLCPVWRRRRKRPAFSRKADSVSSNHTLSSNATRETLY

BDBM50257199

n/a

Name

BDBM50257199

Synonyms:

(S)-2-((S)-2-((S)-2-((S)-1-((S)-6-amino-2-(5-guanidinopentanamido)hexanoyl)pyrrolidine-2-carboxamido)-3-(1H-indol-3-yl)propanamido)-3,3-dimethylbutanamido)-4-methylpentanoic acid | CHEMBL500173

Type

Small organic molecule

Emp. Form.

C40H64N10O7

Mol. Mass.

796.999

SMILES

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CCCCN=C(N)N)C(C)(C)C)C(O)=O |r,wU:8.8,wD:26.27,12.24,4.4,33.41,(40.62,-38.86,;40.62,-37.31,;41.99,-36.61,;39.33,-36.48,;39.39,-34.94,;38.1,-34.11,;36.73,-34.82,;36.67,-36.36,;35.44,-33.99,;34.07,-34.69,;32.78,-33.86,;32.85,-32.32,;31.4,-34.57,;31.33,-36.11,;32.63,-36.94,;34.06,-36.38,;35.04,-37.57,;34.2,-38.86,;34.61,-40.35,;33.53,-41.44,;32.04,-41.04,;31.64,-39.56,;32.72,-38.48,;30.1,-33.74,;28.74,-34.46,;27.45,-33.63,;28.67,-36.01,;29.89,-36.97,;29.35,-38.39,;27.8,-38.39,;27.38,-36.87,;26.06,-36.09,;26.07,-34.55,;24.71,-36.84,;24.7,-38.39,;23.36,-39.16,;23.35,-40.7,;22.02,-41.46,;22,-43,;23.38,-36.07,;22.04,-36.84,;22.03,-38.37,;20.71,-36.06,;20.72,-34.52,;19.39,-33.73,;19.4,-32.19,;18.07,-31.41,;18.09,-29.87,;16.76,-29.1,;19.42,-29.11,;35.52,-32.45,;35.51,-30.9,;37.06,-32.48,;33.98,-32.42,;40.76,-34.24,;42.05,-35.07,;40.84,-32.7,)|

Structure