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Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'rezác' and Initial = 'j'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine racemase


(Mus musculus)
BDBM50038343
PNG
(CHEMBL3360546)
Show SMILES [Na+].[Na+].[O-]C(=O)C(Cl)(Cl)C([O-])=O
Show InChI InChI=1S/C3H2Cl2O4.2Na/c4-3(5,1(6)7)2(8)9;;/h(H,6,7)(H,8,9);;/q;2*+1/p-2
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PubMed
1.90E+4n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of mouse serine racemase by Lineweaver-Burk plot


Eur J Med Chem 89: 189-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.043
BindingDB Entry DOI: 10.7270/Q22N53WK
More data for this
Ligand-Target Pair
Serine racemase


(Mus musculus)
BDBM14673
PNG
(Fragment 3 | Malonic Acid | propanedioic acid)
Show SMILES OC(=O)CC(O)=O
Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
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PubMed
2.70E+4n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of mouse serine racemase by Lineweaver-Burk plot


Eur J Med Chem 89: 189-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.043
BindingDB Entry DOI: 10.7270/Q22N53WK
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM104024
PNG
(MK315)
Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(I)cc1F
Show InChI InChI=1S/C16H12ClFINO4/c17-10-2-4-12(14(5-10)24-8-15(21)22)16(23)20-7-9-1-3-11(19)6-13(9)18/h1-6H,7-8H2,(H,20,23)(H,21,22)
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PubMed
n/an/a 190n/an/an/an/a7.025



Academy of Sciences of the Czech Republic



Assay Description
The assays were performed at 25 degrees Celsius in a 100mM sodium phosphate buffer (pH 7.0), with the AR protein amount reaching the Vmax and 0.2mM N...


ACS Chem Biol 8: 2484-92 (2013)


Article DOI: 10.1021/cb400526n
BindingDB Entry DOI: 10.7270/Q2HH6HQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM104022
PNG
(MK319)
Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(F)c(F)c(Br)c(F)c1F
Show InChI InChI=1S/C16H9BrClF4NO4/c17-11-14(21)12(19)8(13(20)15(11)22)4-23-16(26)7-2-1-6(18)3-9(7)27-5-10(24)25/h1-3H,4-5H2,(H,23,26)(H,24,25)
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n/an/a 300n/an/an/an/a7.025



Academy of Sciences of the Czech Republic



Assay Description
The assays were performed at 25 degrees Celsius in a 100mM sodium phosphate buffer (pH 7.0), with the AR protein amount reaching the Vmax and 0.2mM N...


ACS Chem Biol 8: 2484-92 (2013)


Article DOI: 10.1021/cb400526n
BindingDB Entry DOI: 10.7270/Q2HH6HQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16238
PNG
(2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamoyl}-5...)
Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1F
Show InChI InChI=1S/C16H12BrClFNO4/c17-10-2-1-9(13(19)5-10)7-20-16(23)12-4-3-11(18)6-14(12)24-8-15(21)22/h1-6H,7-8H2,(H,20,23)(H,21,22)
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n/an/a 400n/an/an/an/a7.025



Academy of Sciences of the Czech Republic



Assay Description
The assays were performed at 25 degrees Celsius in a 100mM sodium phosphate buffer (pH 7.0), with the AR protein amount reaching the Vmax and 0.2mM N...


ACS Chem Biol 8: 2484-92 (2013)


Article DOI: 10.1021/cb400526n
BindingDB Entry DOI: 10.7270/Q2HH6HQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM104020
PNG
(MK181)
Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1
Show InChI InChI=1S/C16H13BrClNO4/c17-11-3-1-10(2-4-11)8-19-16(22)13-6-5-12(18)7-14(13)23-9-15(20)21/h1-7H,8-9H2,(H,19,22)(H,20,21)
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n/an/a 710n/an/an/an/a7.025



Academy of Sciences of the Czech Republic



Assay Description
The assays were performed at 25 degrees Celsius in a 100mM sodium phosphate buffer (pH 7.0), with the AR protein amount reaching the Vmax and 0.2mM N...


ACS Chem Biol 8: 2484-92 (2013)


Article DOI: 10.1021/cb400526n
BindingDB Entry DOI: 10.7270/Q2HH6HQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM104021
PNG
(MK408)
Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(F)cc(Br)cc1F
Show InChI InChI=1S/C16H11BrClF2NO4/c17-8-3-12(19)11(13(20)4-8)6-21-16(24)10-2-1-9(18)5-14(10)25-7-15(22)23/h1-5H,6-7H2,(H,21,24)(H,22,23)
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PubMed
n/an/a 1.19E+3n/an/an/an/a7.025



Academy of Sciences of the Czech Republic



Assay Description
The assays were performed at 25 degrees Celsius in a 100mM sodium phosphate buffer (pH 7.0), with the AR protein amount reaching the Vmax and 0.2mM N...


ACS Chem Biol 8: 2484-92 (2013)


Article DOI: 10.1021/cb400526n
BindingDB Entry DOI: 10.7270/Q2HH6HQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM104025
PNG
(MK409)
Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(F)cc(I)cc1F
Show InChI InChI=1S/C16H11ClF2INO4/c17-8-1-2-10(14(3-8)25-7-15(22)23)16(24)21-6-11-12(18)4-9(20)5-13(11)19/h1-5H,6-7H2,(H,21,24)(H,22,23)
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PubMed
n/an/a 1.36E+3n/an/an/an/a7.025



Academy of Sciences of the Czech Republic



Assay Description
The assays were performed at 25 degrees Celsius in a 100mM sodium phosphate buffer (pH 7.0), with the AR protein amount reaching the Vmax and 0.2mM N...


ACS Chem Biol 8: 2484-92 (2013)


Article DOI: 10.1021/cb400526n
BindingDB Entry DOI: 10.7270/Q2HH6HQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM104023
PNG
(MK257)
Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(I)cc1
Show InChI InChI=1S/C16H13ClINO4/c17-11-3-6-13(14(7-11)23-9-15(20)21)16(22)19-8-10-1-4-12(18)5-2-10/h1-7H,8-9H2,(H,19,22)(H,20,21)
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n/an/a 1.90E+3n/an/an/an/a7.025



Academy of Sciences of the Czech Republic



Assay Description
The assays were performed at 25 degrees Celsius in a 100mM sodium phosphate buffer (pH 7.0), with the AR protein amount reaching the Vmax and 0.2mM N...


ACS Chem Biol 8: 2484-92 (2013)


Article DOI: 10.1021/cb400526n
BindingDB Entry DOI: 10.7270/Q2HH6HQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine racemase


(Mus musculus)
BDBM50038343
PNG
(CHEMBL3360546)
Show SMILES [Na+].[Na+].[O-]C(=O)C(Cl)(Cl)C([O-])=O
Show InChI InChI=1S/C3H2Cl2O4.2Na/c4-3(5,1(6)7)2(8)9;;/h(H,6,7)(H,8,9);;/q;2*+1/p-2
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PubMed
n/an/a 5.70E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of mouse serine racemase using L-serine substrate by reversed-phase HPLC analysis


Eur J Med Chem 89: 189-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.043
BindingDB Entry DOI: 10.7270/Q22N53WK
More data for this
Ligand-Target Pair
Serine racemase


(Mus musculus)
BDBM14673
PNG
(Fragment 3 | Malonic Acid | propanedioic acid)
Show SMILES OC(=O)CC(O)=O
Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
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PubMed
n/an/a 6.70E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of mouse serine racemase using L-serine substrate by reversed-phase HPLC analysis


Eur J Med Chem 89: 189-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.043
BindingDB Entry DOI: 10.7270/Q22N53WK
More data for this
Ligand-Target Pair
Serine racemase


(Mus musculus)
BDBM50038354
PNG
(CHEBI:16513 | CHEMBL1794676)
Show SMILES OC(C(O)=O)C(O)=O
Show InChI InChI=1S/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8)
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PubMed
n/an/a 9.40E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of mouse serine racemase using L-serine substrate by reversed-phase HPLC analysis


Eur J Med Chem 89: 189-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.043
BindingDB Entry DOI: 10.7270/Q22N53WK
More data for this
Ligand-Target Pair
Serine racemase


(Mus musculus)
BDBM92990
PNG
(Aminomalonate)
Show SMILES NC(C([O-])=O)C([O-])=O
Show InChI InChI=1S/C3H5NO4/c4-1(2(5)6)3(7)8/h1H,4H2,(H,5,6)(H,7,8)/p-2
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PubMed
n/an/a 4.00E+5n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of mouse serine racemase using L-serine substrate by reversed-phase HPLC analysis


Eur J Med Chem 89: 189-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.043
BindingDB Entry DOI: 10.7270/Q22N53WK
More data for this
Ligand-Target Pair
Serine racemase


(Mus musculus)
BDBM50038342
PNG
(CHEMBL3360547)
Show SMILES [Na+].[Na+].[O-]C(=O)C(Cl)C([O-])=O
Show InChI InChI=1S/C3H3ClO4.2Na/c4-1(2(5)6)3(7)8;;/h1H,(H,5,6)(H,7,8);;/q;2*+1/p-2
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PubMed
n/an/a 7.80E+5n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of mouse serine racemase using L-serine substrate by reversed-phase HPLC analysis


Eur J Med Chem 89: 189-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.043
BindingDB Entry DOI: 10.7270/Q22N53WK
More data for this
Ligand-Target Pair
Serine racemase


(Mus musculus)
BDBM50038341
PNG
(CHEBI:30860 | METHYLMALONIC ACID)
Show SMILES CC(C(O)=O)C(O)=O
Show InChI InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)
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n/an/a 1.85E+6n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of mouse serine racemase using L-serine substrate by reversed-phase HPLC analysis


Eur J Med Chem 89: 189-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.043
BindingDB Entry DOI: 10.7270/Q22N53WK
More data for this
Ligand-Target Pair
Serine racemase


(Mus musculus)
BDBM50038340
PNG
(CHEMBL3360548)
Show SMILES [Na+].[Na+].[O-]C(=O)C(F)(F)C([O-])=O
Show InChI InChI=1S/C3H2F2O4.2Na/c4-3(5,1(6)7)2(8)9;;/h(H,6,7)(H,8,9);;/q;2*+1/p-2
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PubMed
n/an/a 2.16E+6n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of mouse serine racemase using L-serine substrate by reversed-phase HPLC analysis


Eur J Med Chem 89: 189-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.043
BindingDB Entry DOI: 10.7270/Q22N53WK
More data for this
Ligand-Target Pair
Serine racemase


(Mus musculus)
BDBM50038339
PNG
(CHEMBL3360549)
Show SMILES CC(C)(C(O)=O)C(O)=O
Show InChI InChI=1S/C5H8O4/c1-5(2,3(6)7)4(8)9/h1-2H3,(H,6,7)(H,8,9)
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n/an/a 5.63E+6n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of mouse serine racemase using L-serine substrate by reversed-phase HPLC analysis


Eur J Med Chem 89: 189-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.043
BindingDB Entry DOI: 10.7270/Q22N53WK
More data for this
Ligand-Target Pair
Serine racemase


(Mus musculus)
BDBM50038338
PNG
(CHEMBL3360550)
Show SMILES OC(=O)C(C(O)=O)c1ccsc1
Show InChI InChI=1S/C7H6O4S/c8-6(9)5(7(10)11)4-1-2-12-3-4/h1-3,5H,(H,8,9)(H,10,11)
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PubMed
n/an/a 7.03E+6n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of mouse serine racemase using L-serine substrate by reversed-phase HPLC analysis


Eur J Med Chem 89: 189-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.043
BindingDB Entry DOI: 10.7270/Q22N53WK
More data for this
Ligand-Target Pair
Serine racemase


(Mus musculus)
BDBM50038355
PNG
(CHEMBL3360551)
Show SMILES OCC(CO)(C([O-])=O)C([O-])=O
Show InChI InChI=1S/C5H8O6.2Na/c6-1-5(2-7,3(8)9)4(10)11;;/h6-7H,1-2H2,(H,8,9)(H,10,11);;/q;2*+1/p-2
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PubMed
n/an/a 4.06E+7n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of mouse serine racemase using L-serine substrate by reversed-phase HPLC analysis


Eur J Med Chem 89: 189-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.043
BindingDB Entry DOI: 10.7270/Q22N53WK
More data for this
Ligand-Target Pair