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BDBM50441114 CHEMBL2430715

SMILES: C[C@@H](Oc1nc(cnc1N)-c1cccc(c1)C(O)=O)c1ccccc1

InChI Key: InChIKey=PZNIRCZONXUEPF-GFCCVEGCSA-N

Data: 2 IC50  1 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50441114   
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 B (LDHB)


(Homo sapiens (Human))
BDBM50441114
PNG
(CHEMBL2430715)
Show SMILES C[C@@H](Oc1nc(cnc1N)-c1cccc(c1)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C19H17N3O3/c1-12(13-6-3-2-4-7-13)25-18-17(20)21-11-16(22-18)14-8-5-9-15(10-14)19(23)24/h2-12H,1H3,(H2,20,21)(H,23,24)/t12-/m1/s1
PDB
MMDB

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PC cid
PC sid
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n/an/a>1.00E+5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal his-tagged LDHB (1 to 333) 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))
BDBM50441114
PNG
(CHEMBL2430715)
Show SMILES C[C@@H](Oc1nc(cnc1N)-c1cccc(c1)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C19H17N3O3/c1-12(13-6-3-2-4-7-13)25-18-17(20)21-11-16(22-18)14-8-5-9-15(10-14)19(23)24/h2-12H,1H3,(H2,20,21)(H,23,24)/t12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/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))
BDBM50441114
PNG
(CHEMBL2430715)
Show SMILES C[C@@H](Oc1nc(cnc1N)-c1cccc(c1)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C19H17N3O3/c1-12(13-6-3-2-4-7-13)25-18-17(20)21-11-16(22-18)14-8-5-9-15(10-14)19(23)24/h2-12H,1H3,(H2,20,21)(H,23,24)/t12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>1.00E+5n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carboxy-terminal his-tagged LDHA (1 to 331) expressed in Escherichia coli by surface plasmon resonance analysis...


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