Reaction Details Report a problem with these data
Target
Neurotensin receptor type 1
Ligand
BDBM50130893
Substrate
n/a
Meas. Tech.
ChEMBL_144289 (CHEMBL754790)
IC50
3.4±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:
BDBM50130893
Synonyms:
CHEMBL439694 | alpha,epsilon-Bis(FITC)-DLys-Pro-Gly(PipAm)-Arg-Pro-Tyr--Ile-Leu-OH
Type:
Small organic molecule
Emp. Form.:
C96H118N18O20S2
Mol. Mass.:
1908.203
SMILES:
CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C(NC(=O)C1CCCN1C(=O)[C@H](CCCCNC(=O)C1OC2(C3C=CC(=O)CC3Oc3cc(O)ccc23)c2ccc(NC(N)=S)cc12)NC(=O)C1OC2(C3C=CC(=O)CC3Oc3cc(O)ccc23)c2ccc(NC(N)=S)cc12)C1CCC(CC1)C(N)=N)C(=O)NC(CC(C)C)C(O)=O |wU:49.92,c:64,100,(24.03,-21.3,;22.51,-21.42,;21.84,-22.81,;22.7,-24.08,;20.3,-22.93,;19.44,-21.65,;17.9,-21.77,;17.24,-23.16,;17.04,-20.5,;15.5,-20.63,;14.31,-21.58,;14.54,-23.09,;13.34,-24.05,;11.91,-23.5,;10.7,-24.45,;11.67,-21.98,;12.87,-21.02,;17.69,-19.11,;16.83,-17.86,;15.29,-17.97,;17.5,-16.46,;19.01,-16.19,;19.22,-14.66,;17.83,-14,;16.76,-15.12,;15.25,-14.91,;14.31,-16.13,;14.66,-13.49,;15.6,-12.26,;17.13,-12.47,;18.07,-11.26,;19.6,-11.47,;20.54,-10.25,;19.95,-8.83,;22.05,-10.46,;13.14,-13.29,;12.56,-11.86,;13.5,-10.65,;11.03,-11.66,;10.45,-10.24,;8.92,-10.03,;7.98,-11.24,;8.34,-8.61,;9.14,-7.3,;8.16,-6.11,;6.73,-6.7,;6.85,-8.23,;5.67,-9.23,;5.95,-10.75,;4.23,-8.71,;3.96,-7.2,;5.13,-6.21,;4.85,-4.69,;6.03,-3.7,;5.76,-2.19,;4.31,-1.66,;4.96,-.26,;2.8,-1.8,;2.12,-.4,;.59,-.63,;1.58,.57,;3.11,.32,;4.09,1.51,;3.54,2.97,;4.53,4.16,;2.01,3.23,;1.03,2.03,;-.49,2.28,;-1.47,1.09,;-2.98,1.35,;-3.98,.16,;-5.5,.43,;-3.44,-1.29,;-1.91,-1.55,;-.93,-.36,;.33,-2.15,;-.99,-2.96,;-.93,-4.5,;.43,-5.23,;.5,-6.77,;-.81,-7.58,;-.76,-9.14,;-2.18,-6.87,;1.73,-4.41,;1.68,-2.87,;3.06,-9.7,;-.27,-13.37,;-1.12,-12.07,;-.97,-14.73,;-2.51,-14.56,;-3.14,-15.97,;-3.63,-14.49,;-2.6,-13.34,;-3.08,-11.86,;-4.61,-11.54,;-5.1,-10.07,;-5.64,-12.71,;-5.14,-14.17,;-6.17,-15.32,;-5.69,-16.78,;-6.73,-17.93,;-6.24,-19.39,;-7.29,-20.55,;-4.72,-19.72,;-3.7,-18.58,;-4.17,-17.11,;-2,-16.99,;-2,-18.55,;-.67,-19.32,;.66,-18.55,;2.01,-19.32,;2.01,-20.86,;3.34,-21.63,;.66,-21.63,;.68,-17.01,;-.65,-16.24,;10.09,-12.87,;8.57,-12.66,;7.63,-13.87,;8.21,-15.29,;9.74,-15.5,;10.68,-14.29,;7.27,-16.5,;5.74,-16.3,;7.84,-17.93,;19.64,-24.31,;18.11,-24.43,;20.51,-25.58,;19.84,-26.97,;18.31,-27.08,;17.41,-28.33,;18.02,-29.74,;15.88,-28.17,;20.71,-28.24,;20.05,-29.62,;22.24,-28.12,)|
Structure:
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