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BDBM50326410 (+/-)-trans-4-[3-(Benzylthio)propyl]-1-[(9-deazaadenin-9-yl)-methyl]-3-hydroxypyrrolidine::CHEMBL1243341

SMILES: Nc1ncnc2c(CN3C[C@H](O)[C@@H](CCCSCc4ccccc4)C3)c[nH]c12

InChI Key: InChIKey=IRUCLXSFZFQSFL-WMZOPIPTSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50326410   
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
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50326410
PNG
((+/-)-trans-4-[3-(Benzylthio)propyl]-1-[(9-deazaad...)
Show SMILES Nc1ncnc2c(CN3C[C@H](O)[C@@H](CCCSCc4ccccc4)C3)c[nH]c12 |r|
Show InChI InChI=1S/C21H27N5OS/c22-21-20-19(24-14-25-21)17(9-23-20)11-26-10-16(18(27)12-26)7-4-8-28-13-15-5-2-1-3-6-15/h1-3,5-6,9,14,16,18,23,27H,4,7-8,10-13H2,(H2,22,24,25)/t16-,18-/m0/s1
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MMDB

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Article
PubMed
71n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human MTAP


J Med Chem 53: 6730-46 (2010)


Article DOI: 10.1021/jm100898v
BindingDB Entry DOI: 10.7270/Q22R3RWQ
More data for this
Ligand-Target Pair