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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Methylthioadenosine Phosphorylase (MTAP)' and Ligand = 'BDBM50148131'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50148131
PNG
(2-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-prop...)
Show SMILES CCCSCC1NC(C(O)C1O)c1c[nH]c2c(N)ncnc12
Show InChI InChI=1S/C14H21N5O2S/c1-2-3-22-5-8-12(20)13(21)10(19-8)7-4-16-11-9(7)17-6-18-14(11)15/h4,6,8,10,12-13,16,19-21H,2-3,5H2,1H3,(H2,15,17,18)
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PubMed
0.214n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant towards human 5'-methylthioadenosine phosphorylase


J Med Chem 47: 3275-81 (2004)


Article DOI: 10.1021/jm0306475
BindingDB Entry DOI: 10.7270/Q2PZ59J8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50148131
PNG
(2-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-prop...)
Show SMILES CCCSCC1NC(C(O)C1O)c1c[nH]c2c(N)ncnc12
Show InChI InChI=1S/C14H21N5O2S/c1-2-3-22-5-8-12(20)13(21)10(19-8)7-4-16-11-9(7)17-6-18-14(11)15/h4,6,8,10,12-13,16,19-21H,2-3,5H2,1H3,(H2,15,17,18)
PDB
MMDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
4n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Initial dissociation constant towards human 5'-methylthioadenosine phosphorylase


J Med Chem 47: 3275-81 (2004)


Article DOI: 10.1021/jm0306475
BindingDB Entry DOI: 10.7270/Q2PZ59J8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)