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BDBM50534326 CHEMBL4543194

SMILES: OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1ccc(cc1)N1CCOCC1=O

InChI Key: InChIKey=SLRZFXLAHRZNKW-UHFFFAOYSA-N

Data: 3 IC50

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 = 50534326   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50534326
PNG
(CHEMBL4543194)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C25H21ClN2O4S2/c26-19-3-1-2-4-21(19)34-23-20(29)13-25(27-24(23)31,17-9-12-33-15-17)16-5-7-18(8-6-16)28-10-11-32-14-22(28)30/h1-9,12,15,29H,10-11,13-14H2,(H,27,31)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal His-tagged LDHA by UV endpoint assay


ACS Med Chem Lett 7: 896-901 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00190
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50534326
PNG
(CHEMBL4543194)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C25H21ClN2O4S2/c26-19-3-1-2-4-21(19)34-23-20(29)13-25(27-24(23)31,17-9-12-33-15-17)16-5-7-18(8-6-16)28-10-11-32-14-22(28)30/h1-9,12,15,29H,10-11,13-14H2,(H,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LDHA in human MiPaca2 cells assessed as inhibition of lactate production


ACS Med Chem Lett 7: 896-901 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00190
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50534326
PNG
(CHEMBL4543194)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C25H21ClN2O4S2/c26-19-3-1-2-4-21(19)34-23-20(29)13-25(27-24(23)31,17-9-12-33-15-17)16-5-7-18(8-6-16)28-10-11-32-14-22(28)30/h1-9,12,15,29H,10-11,13-14H2,(H,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal His-tagged LDHB by UV endpoint assay


ACS Med Chem Lett 7: 896-901 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00190
More data for this
Ligand-Target Pair