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Compile Data Set for Download or QSAR

Found 4 hits from Alma Mater Studiorum - University of Bologna   
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
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50114360
PNG
(CHEMBL256155)
Show SMILES O=C1C=C(Oc2ccccc2)C(=O)c2ccccc12
Show InChI InChI=1S/C16H10O3/c17-14-10-15(19-11-6-2-1-3-7-11)16(18)13-9-5-4-8-12(13)14/h1-10H
PDB
MMDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 590n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GAPDH assessed as oxidative phosphorylation of D-glyceraldehyde-3-phosphate to 1,3-bisphosphoglycerate by spectrophot...


J Med Chem 58: 6422-34 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00748
BindingDB Entry DOI: 10.7270/Q29K4D2N
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50114357
PNG
(CHEMBL3604082)
Show SMILES COc1cccc2C(=O)C=C(Oc3ccc(F)cc3)C(=O)c12
Show InChI InChI=1S/C17H11FO4/c1-21-14-4-2-3-12-13(19)9-15(17(20)16(12)14)22-11-7-5-10(18)6-8-11/h2-9H,1H3
PDB
MMDB

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PubMed
n/an/a 1.34E+3n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GAPDH assessed as oxidative phosphorylation of D-glyceraldehyde-3-phosphate to 1,3-bisphosphoglycerate by spectrophot...


J Med Chem 58: 6422-34 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00748
BindingDB Entry DOI: 10.7270/Q29K4D2N
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50114358
PNG
(CHEMBL3604098)
Show SMILES COc1ccc(OC2=CC(=O)c3cc4ccccc4cc3C2=O)cc1
Show InChI InChI=1S/C21H14O4/c1-24-15-6-8-16(9-7-15)25-20-12-19(22)17-10-13-4-2-3-5-14(13)11-18(17)21(20)23/h2-12H,1H3
PDB
MMDB

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PubMed
n/an/a 1.41E+3n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GAPDH assessed as oxidative phosphorylation of D-glyceraldehyde-3-phosphate to 1,3-bisphosphoglycerate by spectrophot...


J Med Chem 58: 6422-34 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00748
BindingDB Entry DOI: 10.7270/Q29K4D2N
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM50114359
PNG
(CHEMBL3604105)
Show SMILES Oc1cccc2C(=O)C(Oc3ccccc3)=CC(=O)c12
Show InChI InChI=1S/C16H10O4/c17-12-8-4-7-11-15(12)13(18)9-14(16(11)19)20-10-5-2-1-3-6-10/h1-9,17H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.41E+3n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GAPDH assessed as oxidative phosphorylation of D-glyceraldehyde-3-phosphate to 1,3-bisphosphoglycerate by spectrophot...


J Med Chem 58: 6422-34 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00748
BindingDB Entry DOI: 10.7270/Q29K4D2N
More data for this
Ligand-Target Pair