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BDBM50281785 (S)-2-{2-[(S)-2-{[(S)-1-((S)-2-{(S)-2-[((S)-1-Acetyl-pyrrolidine-2-carbonyl)-amino]-5-guanidino-pentanoylamino}-5-guanidino-pentanoyl)-pyrrolidine-2-carbonyl]-amino}-3-(4-hydroxy-phenyl)-1-oxo-propylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid::CHEMBL174771

SMILES: CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CC(C)C)C(O)=O

InChI Key: InChIKey=YIBMXUSRYBDXAL-QZADHAJISA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50281785   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Neurotensin receptor 1


(MOUSE)		BDBM50281785
PNG
((S)-2-{2-[(S)-2-{[(S)-1-((S)-2-{(S)-2-[((S)-1-Acet...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C45H73N13O10/c1-6-26(4)36(41(65)55-33(43(67)68)23-25(2)3)56-38(62)32(24-28-15-17-29(60)18-16-28)54-40(64)35-14-10-22-58(35)42(66)31(12-8-20-51-45(48)49)53-37(61)30(11-7-19-50-44(46)47)52-39(63)34-13-9-21-57(34)27(5)59/h15-18,25-26,30-36,60H,6-14,19-24H2,1-5H3,(H,52,63)(H,53,61)(H,54,64)(H,55,65)(H,56,62)(H,67,68)(H4,46,47,50)(H4,48,49,51)/t26-,30+,31+,32+,33+,34+,35+,36+/m1/s1
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Similars
Article
 0.100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-Tyr3-NT(1-13) to NT receptors in neonatal mouse whole brain (minus cerebellum)

Bioorg Med Chem Lett 3: 949-952 (1993)


Article DOI: 10.1016/S0960-894X(00)80698-8
BindingDB Entry DOI: 10.7270/Q2CJ8DDX
More data for this
Ligand-Target Pair