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BDBM197158 3-((2-chlorophenyl)thio)-4-hydroxy-6-phenyl-5,6-dihydropyridin-2(1H)-one (4)

SMILES: OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)c1ccccc1

InChI Key: InChIKey=KHNDKFGFIXWFLP-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 197158   
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))
BDBM197158
PNG
(3-((2-chlorophenyl)thio)-4-hydroxy-6-phenyl-5,6-di...)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)c1ccccc1 |w:14.17,c:1|
Show InChI InChI=1S/C17H14ClNO2S/c18-12-8-4-5-9-15(12)22-16-14(20)10-13(19-17(16)21)11-6-2-1-3-7-11/h1-9,13,20H,10H2,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Genentech



Assay Description
LDHA, LDHB, LDHC, MDH1 and MDH2 enzymatic assays have been described in detail previously [Dragovich, P.S. et al, Bioorg. Med. Chem. Lett. 24:3764-37...


Nat Chem Biol 12: 779-86 (2016)


Article DOI: 10.1038/nchembio.2143
BindingDB Entry DOI: 10.7270/Q2W95800
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM197158
PNG
(3-((2-chlorophenyl)thio)-4-hydroxy-6-phenyl-5,6-di...)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)c1ccccc1 |w:14.17,c:1|
Show InChI InChI=1S/C17H14ClNO2S/c18-12-8-4-5-9-15(12)22-16-14(20)10-13(19-17(16)21)11-6-2-1-3-7-11/h1-9,13,20H,10H2,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Genentech



Assay Description
LDHA, LDHB, LDHC, MDH1 and MDH2 enzymatic assays have been described in detail previously [Dragovich, P.S. et al, Bioorg. Med. Chem. Lett. 24:3764-37...


Nat Chem Biol 12: 779-86 (2016)


Article DOI: 10.1038/nchembio.2143
BindingDB Entry DOI: 10.7270/Q2W95800
More data for this
Ligand-Target Pair