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BDBM50254260 (2S,5R,8S,11S,14S,19S,E)-5-((1H-indol-3-yl)methyl)-19-((R)-2-amino-3-phenylpropanamido)-8-(4-aminobutyl)-2-benzyl-11-(4-(benzyloxy)benzyl)-N-((2R,3R)-1,3-dihydroxybutan-2-yl)-3,6,9,12,20-pentaoxo-1,4,7,10,13-pentaazacycloicos-16-ene-14-carboxamide::CHEMBL503472

SMILES: C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1C\C=C\C[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)N1

InChI Key: InChIKey=IEHNXMNAIZPSPF-QXPORQDFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50254260   
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
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM50254260
PNG
((2S,5R,8S,11S,14S,19S,E)-5-((1H-indol-3-yl)methyl)...)
Show SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1C\C=C\C[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)N1 |r,t:11|
Show InChI InChI=1S/C63H76N10O10/c1-40(75)56(38-74)73-60(79)51-26-14-13-25-50(67-57(76)48(65)33-41-17-5-2-6-18-41)58(77)70-53(34-42-19-7-3-8-20-42)62(81)72-55(36-45-37-66-49-24-12-11-23-47(45)49)63(82)69-52(27-15-16-32-64)59(78)71-54(61(80)68-51)35-43-28-30-46(31-29-43)83-39-44-21-9-4-10-22-44/h2-14,17-24,28-31,37,40,48,50-56,66,74-75H,15-16,25-27,32-36,38-39,64-65H2,1H3,(H,67,76)(H,68,80)(H,69,82)(H,70,77)(H,71,78)(H,72,81)(H,73,79)/b14-13+/t40-,48-,50+,51+,52+,53+,54+,55-,56-/m1/s1
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Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Leu8, DTrp22, Tyr25]-somatostatin-28 from human recombinant sst5 receptor expressed in chinese hamster CCL39 cells

J Med Chem 52: 95-104 (2009)


Article DOI: 10.1021/jm801205x
BindingDB Entry DOI: 10.7270/Q27W6D3B
More data for this
Ligand-Target Pair