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Target
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EC50
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Ki
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null
SMILES:
OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(NC2CCCCC2)n1)c1cccc(Nc2ccc(F)c(F)c2)n1
InChI Key:
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
4
hits for monomerid = 50597908
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
L-lactate dehydrogenase A chain
(Homo sapiens (Human))
BDBM50597908
(CHEMBL5181496)
Show SMILES
OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(NC2CCCCC2)n1)c1cccc(Nc2ccc(F)c(F)c2)n1 |c:1|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.900
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2022.128576
BindingDB Entry DOI:
10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain
(Homo sapiens (Human))
BDBM50597908
(CHEMBL5181496)
Show SMILES
OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(NC2CCCCC2)n1)c1cccc(Nc2ccc(F)c(F)c2)n1 |c:1|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.80
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2022.128576
BindingDB Entry DOI:
10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain
(Homo sapiens (Human))
BDBM50597908
(CHEMBL5181496)
Show SMILES
OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(NC2CCCCC2)n1)c1cccc(Nc2ccc(F)c(F)c2)n1 |c:1|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.80
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2022.128576
BindingDB Entry DOI:
10.7270/Q2251P69
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain
(Homo sapiens (Human))
BDBM50597908
(CHEMBL5181496)
Show SMILES
OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(NC2CCCCC2)n1)c1cccc(Nc2ccc(F)c(F)c2)n1 |c:1|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.900
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2022.128576
BindingDB Entry DOI:
10.7270/Q2251P69
More data for this
Ligand-Target Pair
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