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BDBM50089929 CHEMBL3581205

SMILES: COc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(NC3CCOCC3)c2Cl)c1

InChI Key: InChIKey=OYQCIDDMXPYLFN-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50089929   
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))
BDBM50089929
PNG
(CHEMBL3581205)
Show SMILES COc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(NC3CCOCC3)c2Cl)c1
Show InChI InChI=1S/C24H24Cl3NO4S/c1-31-15-2-3-16(25)21(12-15)33-24-19(29)10-13(11-20(24)30)22-17(26)4-5-18(23(22)27)28-14-6-8-32-9-7-14/h2-5,12-14,28-29H,6-11H2,1H3
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 490n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LDH-B (unknown origin)


Bioorg Med Chem Lett 25: 75-82 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.008
BindingDB Entry DOI: 10.7270/Q2BR8TXC
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089929
PNG
(CHEMBL3581205)
Show SMILES COc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(NC3CCOCC3)c2Cl)c1
Show InChI InChI=1S/C24H24Cl3NO4S/c1-31-15-2-3-16(25)21(12-15)33-24-19(29)10-13(11-20(24)30)22-17(26)4-5-18(23(22)27)28-14-6-8-32-9-7-14/h2-5,12-14,28-29H,6-11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 25: 75-82 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.008
BindingDB Entry DOI: 10.7270/Q2BR8TXC
More data for this
Ligand-Target Pair