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Target
Sequence
Name
&
Ki
IC50
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EC50
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ΔH°
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Ki
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Found
26
hits Enz. Inhib. hit(s) with all data for entry = 50016716
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Pyruvate kinase PKLR
(Homo sapiens (Human))
BDBM50596765
(CHEMBL5204170)
Show SMILES
Oc1c(O)c2C(=O)c3ccccc3C(=O)c2cc1S(=O)(=O)N1CCNCC1
Show InChI
PDB
KEGG
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B.MOAD
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GoogleScholar
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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
150
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114270
BindingDB Entry DOI:
10.7270/Q2VX0MJ9
More data for this
Ligand-Target Pair
3D Structure (crystal)
Pyruvate kinase PKLR
(Homo sapiens (Human))
BDBM50596761
(CHEMBL5209097)
Show SMILES
OC(=O)C1CCCN(C1)S(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O
Show InChI
PDB
KEGG
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B.MOAD
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GoogleScholar
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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
160
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114270
BindingDB Entry DOI:
10.7270/Q2VX0MJ9
More data for this
Ligand-Target Pair
3D Structure (crystal)
Pyruvate kinase PKLR
(Homo sapiens (Human))
BDBM50143419
(CHEMBL175336 | Sodium; 3,4-dihydroxy-9,10-dioxo-9,...)
Show SMILES
Oc1c(O)c2C(=O)c3ccccc3C(=O)c2cc1S([O-])(=O)=O
Show InChI
InChI=1S/C14H8O7S/c15-11-6-3-1-2-4-7(6)12(16)10-8(11)5-9(22(19,20)21)13(17)14(10)18/h1-5,17-18H,(H,19,20,21)/p-1
PDB
KEGG
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Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Article
PubMed
n/a
n/a
200
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114270
BindingDB Entry DOI:
10.7270/Q2VX0MJ9
More data for this
Ligand-Target Pair
Pyruvate kinase PKLR
(Homo sapiens (Human))
BDBM50596751
(CHEMBL5176753)
Show SMILES
OC(=O)CNS(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
200
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114270
BindingDB Entry DOI:
10.7270/Q2VX0MJ9
More data for this
Ligand-Target Pair
Pyruvate kinase PKLR
(Homo sapiens (Human))
BDBM50596768
(CHEMBL5208105)
Show SMILES
OC(=O)CC(O)(CC(=O)N1CCN(CC1)S(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)C(O)=O
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
200
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114270
BindingDB Entry DOI:
10.7270/Q2VX0MJ9
More data for this
Ligand-Target Pair
3D Structure (crystal)
Pyruvate kinase PKLR
(Homo sapiens (Human))
BDBM50596767
(CHEMBL5176181)
Show SMILES
OC(=O)Cc1ccc(CNC(=O)N2CCN(CC2)S(=O)(=O)c2cc3C(=O)c4ccccc4C(=O)c3c(O)c2O)cc1C(O)=O
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
290
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114270
BindingDB Entry DOI:
10.7270/Q2VX0MJ9
More data for this
Ligand-Target Pair
Pyruvate kinase PKLR
(Homo sapiens (Human))
BDBM50596760
(CHEMBL5181251)
Show SMILES
OC(=O)Cc1ccc(CNS(=O)(=O)c2cc3C(=O)c4ccccc4C(=O)c3c(O)c2O)cc1C(O)=O
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
300
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114270
BindingDB Entry DOI:
10.7270/Q2VX0MJ9
More data for this
Ligand-Target Pair
Pyruvate kinase PKLR
(Homo sapiens (Human))
BDBM50596766
(CHEMBL5204537)
Show SMILES
OC(=O)CC[C@H](NC(=O)N1CCN(CC1)S(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)C(O)=O |r|
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
550
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114270
BindingDB Entry DOI:
10.7270/Q2VX0MJ9
More data for this
Ligand-Target Pair
Pyruvate kinase PKLR
(Homo sapiens (Human))
BDBM50596759
(CHEMBL5188496)
Show SMILES
OC(=O)CNC(=O)CNC(=O)CNS(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
700
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114270
BindingDB Entry DOI:
10.7270/Q2VX0MJ9
More data for this
Ligand-Target Pair
Pyruvate kinase PKLR
(Homo sapiens (Human))
BDBM50596755
(CHEMBL5183208)
Show SMILES
OC[C@H](NS(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)C(O)=O |r|
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
900
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114270
BindingDB Entry DOI:
10.7270/Q2VX0MJ9
More data for this
Ligand-Target Pair
Pyruvate kinase PKLR
(Homo sapiens (Human))
BDBM50596756
(CHEMBL5186564)
Show SMILES
COC[C@H](NS(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)C(O)=O |r|
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.20E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114270
BindingDB Entry DOI:
10.7270/Q2VX0MJ9
More data for this
Ligand-Target Pair
Pyruvate kinase PKLR
(Homo sapiens (Human))
BDBM50596773
(CHEMBL5195754)
Show SMILES
OC(=O)Cc1ccc(CNc2cc3C(=O)c4ccccc4C(=O)c3c(O)c2O)cc1C(O)=O
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.30E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114270
BindingDB Entry DOI:
10.7270/Q2VX0MJ9
More data for this
Ligand-Target Pair
Pyruvate kinase PKLR
(Homo sapiens (Human))
BDBM50596764
(CHEMBL5206382)
Show SMILES
OC(=O)CC[C@H](NC(=O)C1CCCN(C1)S(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)C(O)=O |r|
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.30E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114270
BindingDB Entry DOI:
10.7270/Q2VX0MJ9
More data for this
Ligand-Target Pair
Pyruvate kinase PKLR
(Homo sapiens (Human))
BDBM50596771
(CHEMBL5181273)
Show SMILES
[Na;v0+].[#8]-c1c(-[#8])c2-[#6](=O)-c3ccccc3-[#6](=O)-c2cc1-[#6](-[#8-])=O
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.40E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114270
BindingDB Entry DOI:
10.7270/Q2VX0MJ9
More data for this
Ligand-Target Pair
Pyruvate kinase PKLR
(Homo sapiens (Human))
BDBM50596757
(CHEMBL5186706)
Show SMILES
CSCCC(NS(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)C(O)=O
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.40E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114270
BindingDB Entry DOI:
10.7270/Q2VX0MJ9
More data for this
Ligand-Target Pair
Pyruvate kinase PKLR
(Homo sapiens (Human))
BDBM50596772
(CHEMBL5200212)
Show SMILES
OC(=O)Cc1ccc(CNC(=O)Nc2cc3C(=O)c4ccccc4C(=O)c3c(O)c2O)cc1C(O)=O
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.70E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114270
BindingDB Entry DOI:
10.7270/Q2VX0MJ9
More data for this
Ligand-Target Pair
Pyruvate kinase PKLR
(Homo sapiens (Human))
BDBM50596763
(CHEMBL5198643)
Show SMILES
OC(=O)C[C@H](NC(=O)C1CCCN(C1)S(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)C(O)=O |r|
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.90E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114270
BindingDB Entry DOI:
10.7270/Q2VX0MJ9
More data for this
Ligand-Target Pair
Pyruvate kinase PKLR
(Homo sapiens (Human))
BDBM50596774
(CHEMBL5177546)
Show SMILES
OC(=O)CC(Nc1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)C(O)=O
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.50E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114270
BindingDB Entry DOI:
10.7270/Q2VX0MJ9
More data for this
Ligand-Target Pair
Pyruvate kinase PKLR
(Homo sapiens (Human))
BDBM50596770
(CHEMBL5170574)
Show SMILES
[Na;v0+].[#8]-c1cc2-[#6](=O)-c3ccccc3-[#6](=O)-c2cc1S([#8-])(=O)=O
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3.40E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114270
BindingDB Entry DOI:
10.7270/Q2VX0MJ9
More data for this
Ligand-Target Pair
Pyruvate kinase PKLR
(Homo sapiens (Human))
BDBM50596775
(CHEMBL5169856)
Show SMILES
OC(=O)Cc1ccc(CNc2cc3C(=O)c4ccccc4C(=O)c3c(O)c2O)cc1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3.80E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114270
BindingDB Entry DOI:
10.7270/Q2VX0MJ9
More data for this
Ligand-Target Pair
Pyruvate kinase PKLR
(Homo sapiens (Human))
BDBM50596758
(CHEMBL5172724)
Show SMILES
OC(=O)CNC(=O)CNS(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
4.10E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114270
BindingDB Entry DOI:
10.7270/Q2VX0MJ9
More data for this
Ligand-Target Pair
Pyruvate kinase PKLR
(Homo sapiens (Human))
BDBM50596762
(CHEMBL5170819)
Show SMILES
OC(=O)C1CCN(CC1)S(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
4.80E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114270
BindingDB Entry DOI:
10.7270/Q2VX0MJ9
More data for this
Ligand-Target Pair
3D Structure (crystal)
Pyruvate kinase PKLR
(Homo sapiens (Human))
BDBM50596752
(CHEMBL5172682)
Show SMILES
OC(=O)CCNS(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
5.80E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114270
BindingDB Entry DOI:
10.7270/Q2VX0MJ9
More data for this
Ligand-Target Pair
3D Structure (crystal)
Pyruvate kinase PKLR
(Homo sapiens (Human))
BDBM50596769
(CHEMBL5193313)
Show SMILES
[Na;v0+].[#8]-c1cc(cc2-[#6](=O)-c3ccccc3-[#6](=O)-c12)S([#8-])(=O)=O
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
7.30E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114270
BindingDB Entry DOI:
10.7270/Q2VX0MJ9
More data for this
Ligand-Target Pair
Pyruvate kinase PKLR
(Homo sapiens (Human))
BDBM50596753
(CHEMBL5209293)
Show SMILES
OC(=O)CCCNS(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
7.50E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114270
BindingDB Entry DOI:
10.7270/Q2VX0MJ9
More data for this
Ligand-Target Pair
Pyruvate kinase PKLR
(Homo sapiens (Human))
BDBM50596754
(CHEMBL5188932)
Show SMILES
OC(=O)CCCCNS(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
1.90E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114270
BindingDB Entry DOI:
10.7270/Q2VX0MJ9
More data for this
Ligand-Target Pair
3D Structure (crystal)
Search and Browse
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Enter Data
