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Compile Data Set for Download or QSAR

Found 5 hits with Last Name = 'barekatain' and Initial = 'y'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-enolase


(Homo sapiens (Human))
BDBM50590126
PNG
(CHEMBL5185604)
Show SMILES OC1CC(C(=O)N1O)P(O)(O)=O
PDB

UniProtKB/SwissProt

antibodypedia
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01039
BindingDB Entry DOI: 10.7270/Q2348QCK
More data for this
Ligand-Target Pair
Alpha-enolase


(Homo sapiens (Human))
BDBM50590127
PNG
(CHEMBL5187779)
Show SMILES C[C@@]1(C[C@H](O)N(O)C1=O)P(O)(O)=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 6.30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01039
BindingDB Entry DOI: 10.7270/Q2348QCK
More data for this
Ligand-Target Pair
Alpha-enolase


(Homo sapiens (Human))
BDBM204923
PNG
(phosphonoacetohydroxamate (PhAH))
Show SMILES ONC(=O)CP(O)(O)=O
Show InChI InChI=1S/C2H6NO5P/c4-2(3-5)1-9(6,7)8/h5H,1H2,(H,3,4)(H2,6,7,8)
PDB

UniProtKB/SwissProt

antibodypedia
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DrugBank
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 51n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01039
BindingDB Entry DOI: 10.7270/Q2348QCK
More data for this
Ligand-Target Pair
Alpha-enolase


(Homo sapiens (Human))
BDBM50590125
PNG
(CHEMBL5193347)
Show SMILES ON1CCC(C1=O)P(O)(O)=O
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.69E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01039
BindingDB Entry DOI: 10.7270/Q2348QCK
More data for this
Ligand-Target Pair
Alpha-enolase


(Homo sapiens (Human))
BDBM50543109
PNG
(CHEMBL4647387)
Show SMILES ON1CCCC(C1=O)P(O)(O)=O
Show InChI InChI=1S/C5H10NO5P/c7-5-4(12(9,10)11)2-1-3-6(5)8/h4,8H,1-3H2,(H2,9,10,11)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 5.90E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01039
BindingDB Entry DOI: 10.7270/Q2348QCK
More data for this
Ligand-Target Pair