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BDBM50052250 CHEMBL3318465

SMILES: OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1ccccc1Cl

InChI Key: InChIKey=UCSUKGJYCVAUPJ-UHFFFAOYNA-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 = 50052250   
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))
BDBM50052250
PNG
(CHEMBL3318465)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1ccccc1Cl
Show InChI InChI=1/C18H14Cl2O2S/c19-13-6-2-1-5-12(13)11-9-15(21)18(16(22)10-11)23-17-8-4-3-7-14(17)20/h1-8,11,21H,9-10H2
PDB
MMDB

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Article
PubMed
n/an/a 1.30E+4n/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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052250
PNG
(CHEMBL3318465)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1ccccc1Cl
Show InChI InChI=1/C18H14Cl2O2S/c19-13-6-2-1-5-12(13)11-9-15(21)18(16(22)10-11)23-17-8-4-3-7-14(17)20/h1-8,11,21H,9-10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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 by UV endpoint assay


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052250
PNG
(CHEMBL3318465)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1ccccc1Cl
Show InChI InChI=1/C18H14Cl2O2S/c19-13-6-2-1-5-12(13)11-9-15(21)18(16(22)10-11)23-17-8-4-3-7-14(17)20/h1-8,11,21H,9-10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 8.20E+3n/an/an/an/an/a



Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair