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BDBM50441138 CHEMBL2430727

SMILES: C[C@@H](Nc1nc(cnc1N)-c1cc(ccc1C)C(O)=O)c1ccc(Cl)cc1

InChI Key: InChIKey=ARFUEGGWDJJGFD-GFCCVEGCSA-N

Data: 2 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50441138   
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
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50441138
PNG
(CHEMBL2430727)
Show SMILES C[C@@H](Nc1nc(cnc1N)-c1cc(ccc1C)C(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H19ClN4O2/c1-11-3-4-14(20(26)27)9-16(11)17-10-23-18(22)19(25-17)24-12(2)13-5-7-15(21)8-6-13/h3-10,12H,1-2H3,(H2,22,23)(H,24,25)(H,26,27)/t12-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal his-tagged LDHA (1 to 331) expressed in Escherichia coli using pyruvate as substrate assessed as dis...


Bioorg Med Chem Lett 23: 5533-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.060
BindingDB Entry DOI: 10.7270/Q2668FM1
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50441138
PNG
(CHEMBL2430727)
Show SMILES C[C@@H](Nc1nc(cnc1N)-c1cc(ccc1C)C(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H19ClN4O2/c1-11-3-4-14(20(26)27)9-16(11)17-10-23-18(22)19(25-17)24-12(2)13-5-7-15(21)8-6-13/h3-10,12H,1-2H3,(H2,22,23)(H,24,25)(H,26,27)/t12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of LDHA (unknown origin)


Bioorg Med Chem Lett 24: 4915-25 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.041
BindingDB Entry DOI: 10.7270/Q25Q4XV9
More data for this
Ligand-Target Pair