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BDBM50326406 (+/-)-trans-1-[(9-Deazaadenin-9-yl)methyl]-3-hydroxy-4-vinylpyrrolidine::CHEMBL1241381

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

InChI Key: InChIKey=OMVNLSLVNNFTNY-WPRPVWTQSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50326406   
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))
BDBM50326406
PNG
((+/-)-trans-1-[(9-Deazaadenin-9-yl)methyl]-3-hydro...)
Show SMILES Nc1ncnc2c(CN3C[C@H](O)[C@H](C3)C=C)c[nH]c12 |r|
Show InChI InChI=1S/C13H17N5O/c1-2-8-4-18(6-10(8)19)5-9-3-15-12-11(9)16-7-17-13(12)14/h2-3,7-8,10,15,19H,1,4-6H2,(H2,14,16,17)/t8-,10-/m0/s1
PDB
MMDB

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PC cid
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Article
PubMed
3.20n/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