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Compile Data Set for Download or QSAR

Found 40 hits with Last Name = 'giacomini' and Initial = 'e'   
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
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50114409
PNG
(CHEMBL3609809)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1ccc(o1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C22H20N2O7/c1-28-18-10-15(11-19(29-2)20(18)30-3)21(25)24-23-12-16-7-8-17(31-16)13-5-4-6-14(9-13)22(26)27/h4-12H,1-3H3,(H,24,25)(H,26,27)/b23-12+
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3.90E+4n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human liver purified lactate dehydrogenase-A using pyruvate as substrate assessed as disappearance of NADH fluorescence


Eur J Med Chem 101: 63-70 (2015)


BindingDB Entry DOI: 10.7270/Q2NS0WQM
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50114409
PNG
(CHEMBL3609809)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1ccc(o1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C22H20N2O7/c1-28-18-10-15(11-19(29-2)20(18)30-3)21(25)24-23-12-16-7-8-17(31-16)13-5-4-6-14(9-13)22(26)27/h4-12H,1-3H3,(H,24,25)(H,26,27)/b23-12+
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4.70E+4n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human liver purified lactate dehydrogenase-A using NADH as substrate assessed as disappearance of NADH fluorescence


Eur J Med Chem 101: 63-70 (2015)


BindingDB Entry DOI: 10.7270/Q2NS0WQM
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 600n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using modified Boc-Lys(Ac)-AMC MAL as substrate after 1 hr by fluorescent activity assay


ACS Med Chem Lett 5: 973-8 (2014)


Article DOI: 10.1021/ml5000959
BindingDB Entry DOI: 10.7270/Q2125V70
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026643
PNG
(CHEMBL3335369)
Show SMILES COc1cc(OC)cc(\C=C\c2ccc(OC)c(NC(=O)CCCCCCC(=O)NO)c2)c1
Show InChI InChI=1S/C25H32N2O6/c1-31-20-14-19(15-21(17-20)32-2)11-10-18-12-13-23(33-3)22(16-18)26-24(28)8-6-4-5-7-9-25(29)27-30/h10-17,30H,4-9H2,1-3H3,(H,26,28)(H,27,29)/b11-10+
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n/an/a 800n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using modified Boc-Lys(Ac)-AMC MAL as substrate after 1 hr by fluorescent activity assay


ACS Med Chem Lett 5: 973-8 (2014)


Article DOI: 10.1021/ml5000959
BindingDB Entry DOI: 10.7270/Q2125V70
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026641
PNG
(CHEMBL3335367)
Show SMILES ONC(=O)CCCCCNC(=O)c1ccc(cc1)-c1ccc(cc1)-c1cc(O)cc(O)c1
Show InChI InChI=1S/C25H26N2O5/c28-22-14-21(15-23(29)16-22)19-7-5-17(6-8-19)18-9-11-20(12-10-18)25(31)26-13-3-1-2-4-24(30)27-32/h5-12,14-16,28-29,32H,1-4,13H2,(H,26,31)(H,27,30)
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n/an/a 900n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using modified Boc-Lys(Ac)-AMC MAL as substrate after 1 hr by fluorescent activity assay


ACS Med Chem Lett 5: 973-8 (2014)


Article DOI: 10.1021/ml5000959
BindingDB Entry DOI: 10.7270/Q2125V70
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50026643
PNG
(CHEMBL3335369)
Show SMILES COc1cc(OC)cc(\C=C\c2ccc(OC)c(NC(=O)CCCCCCC(=O)NO)c2)c1
Show InChI InChI=1S/C25H32N2O6/c1-31-20-14-19(15-21(17-20)32-2)11-10-18-12-13-23(33-3)22(16-18)26-24(28)8-6-4-5-7-9-25(29)27-30/h10-17,30H,4-9H2,1-3H3,(H,26,28)(H,27,29)/b11-10+
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using Z-MAL as substrate after 1 hr by fluorescent activity assay


ACS Med Chem Lett 5: 973-8 (2014)


Article DOI: 10.1021/ml5000959
BindingDB Entry DOI: 10.7270/Q2125V70
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50026644
PNG
(CHEMBL3335370)
Show SMILES COc1cc(OC)cc(\C=C/c2ccc(OC)c(NC(=O)CCCCCCC(=O)NO)c2)c1
Show InChI InChI=1S/C25H32N2O6/c1-31-20-14-19(15-21(17-20)32-2)11-10-18-12-13-23(33-3)22(16-18)26-24(28)8-6-4-5-7-9-25(29)27-30/h10-17,30H,4-9H2,1-3H3,(H,26,28)(H,27,29)/b11-10-
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using Z-MAL as substrate after 1 hr by fluorescent activity assay


ACS Med Chem Lett 5: 973-8 (2014)


Article DOI: 10.1021/ml5000959
BindingDB Entry DOI: 10.7270/Q2125V70
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026644
PNG
(CHEMBL3335370)
Show SMILES COc1cc(OC)cc(\C=C/c2ccc(OC)c(NC(=O)CCCCCCC(=O)NO)c2)c1
Show InChI InChI=1S/C25H32N2O6/c1-31-20-14-19(15-21(17-20)32-2)11-10-18-12-13-23(33-3)22(16-18)26-24(28)8-6-4-5-7-9-25(29)27-30/h10-17,30H,4-9H2,1-3H3,(H,26,28)(H,27,29)/b11-10-
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using modified Boc-Lys(Ac)-AMC MAL as substrate after 1 hr by fluorescent activity assay


ACS Med Chem Lett 5: 973-8 (2014)


Article DOI: 10.1021/ml5000959
BindingDB Entry DOI: 10.7270/Q2125V70
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 5.60E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using Z-MAL as substrate after 1 hr by fluorescent activity assay


ACS Med Chem Lett 5: 973-8 (2014)


Article DOI: 10.1021/ml5000959
BindingDB Entry DOI: 10.7270/Q2125V70
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50026644
PNG
(CHEMBL3335370)
Show SMILES COc1cc(OC)cc(\C=C/c2ccc(OC)c(NC(=O)CCCCCCC(=O)NO)c2)c1
Show InChI InChI=1S/C25H32N2O6/c1-31-20-14-19(15-21(17-20)32-2)11-10-18-12-13-23(33-3)22(16-18)26-24(28)8-6-4-5-7-9-25(29)27-30/h10-17,30H,4-9H2,1-3H3,(H,26,28)(H,27,29)/b11-10-
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n/an/a 7.60E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 using (S)-[5-Acetylamino-1-(2-oxo-4-trifluorometyl-2Hchromen-7-ylcarbamoyl)pentl]carbami acid tert-Butyl Ester ...


ACS Med Chem Lett 5: 973-8 (2014)


Article DOI: 10.1021/ml5000959
BindingDB Entry DOI: 10.7270/Q2125V70
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 7.80E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 using (S)-[5-Acetylamino-1-(2-oxo-4-trifluorometyl-2Hchromen-7-ylcarbamoyl)pentl]carbami acid tert-Butyl Ester ...


ACS Med Chem Lett 5: 973-8 (2014)


Article DOI: 10.1021/ml5000959
BindingDB Entry DOI: 10.7270/Q2125V70
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026642
PNG
(CHEMBL3335368)
Show SMILES ONC(=O)c1ccc(cc1)-c1ccc(cc1)-c1cc(O)cc(O)c1
Show InChI InChI=1S/C19H15NO4/c21-17-9-16(10-18(22)11-17)14-3-1-12(2-4-14)13-5-7-15(8-6-13)19(23)20-24/h1-11,21-22,24H,(H,20,23)
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n/an/a 8.90E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using modified Boc-Lys(Ac)-AMC MAL as substrate after 1 hr by fluorescent activity assay


ACS Med Chem Lett 5: 973-8 (2014)


Article DOI: 10.1021/ml5000959
BindingDB Entry DOI: 10.7270/Q2125V70
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50026643
PNG
(CHEMBL3335369)
Show SMILES COc1cc(OC)cc(\C=C\c2ccc(OC)c(NC(=O)CCCCCCC(=O)NO)c2)c1
Show InChI InChI=1S/C25H32N2O6/c1-31-20-14-19(15-21(17-20)32-2)11-10-18-12-13-23(33-3)22(16-18)26-24(28)8-6-4-5-7-9-25(29)27-30/h10-17,30H,4-9H2,1-3H3,(H,26,28)(H,27,29)/b11-10+
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n/an/a 9.80E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 using (S)-[5-Acetylamino-1-(2-oxo-4-trifluorometyl-2Hchromen-7-ylcarbamoyl)pentl]carbami acid tert-Butyl Ester ...


ACS Med Chem Lett 5: 973-8 (2014)


Article DOI: 10.1021/ml5000959
BindingDB Entry DOI: 10.7270/Q2125V70
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026629
PNG
(CHEMBL3334509)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(cc1)-c1ccc(cc1)-c1cc(O)cc(O)c1
Show InChI InChI=1S/C26H28N2O5/c29-23-15-22(16-24(30)17-23)20-8-6-18(7-9-20)19-10-12-21(13-11-19)26(32)27-14-4-2-1-3-5-25(31)28-33/h6-13,15-17,29-30,33H,1-5,14H2,(H,27,32)(H,28,31)
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n/an/a 1.57E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using modified Boc-Lys(Ac)-AMC MAL as substrate after 1 hr by fluorescent activity assay


ACS Med Chem Lett 5: 973-8 (2014)


Article DOI: 10.1021/ml5000959
BindingDB Entry DOI: 10.7270/Q2125V70
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50114404
PNG
(CHEMBL3608325)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1cc(co1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C22H20N2O7/c1-28-18-9-15(10-19(29-2)20(18)30-3)21(25)24-23-11-17-8-16(12-31-17)13-5-4-6-14(7-13)22(26)27/h4-12H,1-3H3,(H,24,25)(H,26,27)/b23-11+
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human liver purified lactate dehydrogenase-A using pyruvate as substrate assessed as NADH oxidation for 3 mins by fluorimetric method


Eur J Med Chem 101: 63-70 (2015)


BindingDB Entry DOI: 10.7270/Q2NS0WQM
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50114408
PNG
(CHEMBL3609810)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc(\C=N\NC(=O)CC#N)o1
Show InChI InChI=1S/C15H11N3O4/c16-8-7-14(19)18-17-9-12-5-6-13(22-12)10-1-3-11(4-2-10)15(20)21/h1-6,9H,7H2,(H,18,19)(H,20,21)/b17-9+
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n/an/a 3.70E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human liver purified lactate dehydrogenase-A using pyruvate as substrate assessed as NADH oxidation for 3 mins by fluorimetric method


Eur J Med Chem 101: 63-70 (2015)


BindingDB Entry DOI: 10.7270/Q2NS0WQM
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50114409
PNG
(CHEMBL3609809)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1ccc(o1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C22H20N2O7/c1-28-18-10-15(11-19(29-2)20(18)30-3)21(25)24-23-12-16-7-8-17(31-16)13-5-4-6-14(9-13)22(26)27/h4-12H,1-3H3,(H,24,25)(H,26,27)/b23-12+
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n/an/a 3.70E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human liver purified lactate dehydrogenase-A using pyruvate as substrate assessed as NADH oxidation for 3 mins by fluorimetric method


Eur J Med Chem 101: 63-70 (2015)


BindingDB Entry DOI: 10.7270/Q2NS0WQM
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50114400
PNG
(CHEMBL3608329)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)c2ccc3[nH]ccc3c2)o1
Show InChI InChI=1S/C21H15N3O4/c25-20(15-4-6-18-13(10-15)8-9-22-18)24-23-12-17-5-7-19(28-17)14-2-1-3-16(11-14)21(26)27/h1-12,22H,(H,24,25)(H,26,27)/b23-12+
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n/an/a 3.80E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human liver purified lactate dehydrogenase-A using pyruvate as substrate assessed as NADH oxidation for 3 mins by fluorimetric method


Eur J Med Chem 101: 63-70 (2015)


BindingDB Entry DOI: 10.7270/Q2NS0WQM
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50114403
PNG
(CHEMBL3608326)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1ccc(s1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C22H20N2O6S/c1-28-17-10-15(11-18(29-2)20(17)30-3)21(25)24-23-12-16-7-8-19(31-16)13-5-4-6-14(9-13)22(26)27/h4-12H,1-3H3,(H,24,25)(H,26,27)/b23-12+
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n/an/a 4.10E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human liver purified lactate dehydrogenase-A using pyruvate as substrate assessed as NADH oxidation for 3 mins by fluorimetric method


Eur J Med Chem 101: 63-70 (2015)


BindingDB Entry DOI: 10.7270/Q2NS0WQM
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50114401
PNG
(CHEMBL3608328)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)c2ccc3[nH]ncc3c2)o1
Show InChI InChI=1S/C20H14N4O4/c25-19(13-4-6-17-15(9-13)10-21-23-17)24-22-11-16-5-7-18(28-16)12-2-1-3-14(8-12)20(26)27/h1-11H,(H,21,23)(H,24,25)(H,26,27)/b22-11+
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n/an/a 4.10E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human liver purified lactate dehydrogenase-A using pyruvate as substrate assessed as NADH oxidation for 3 mins by fluorimetric method


Eur J Med Chem 101: 63-70 (2015)


BindingDB Entry DOI: 10.7270/Q2NS0WQM
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50114409
PNG
(CHEMBL3609809)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1ccc(o1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C22H20N2O7/c1-28-18-10-15(11-19(29-2)20(18)30-3)21(25)24-23-12-16-7-8-17(31-16)13-5-4-6-14(9-13)22(26)27/h4-12H,1-3H3,(H,24,25)(H,26,27)/b23-12+
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n/an/a 4.20E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of lactate dehydrogenase-A in human Raji cells assessed as reduction of intracellular lactate level after 3 hrs


Eur J Med Chem 101: 63-70 (2015)


BindingDB Entry DOI: 10.7270/Q2NS0WQM
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50114407
PNG
(CHEMBL3197264)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)c2cccnc2)o1
Show InChI InChI=1S/C18H13N3O4/c22-17(14-5-2-8-19-10-14)21-20-11-15-6-7-16(25-15)12-3-1-4-13(9-12)18(23)24/h1-11H,(H,21,22)(H,23,24)/b20-11+
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n/an/a 4.30E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human liver purified lactate dehydrogenase-A using pyruvate as substrate assessed as NADH oxidation for 3 mins by fluorimetric method


Eur J Med Chem 101: 63-70 (2015)


BindingDB Entry DOI: 10.7270/Q2NS0WQM
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50114402
PNG
(CHEMBL3608327)
Show SMILES OCc1cccc(c1)C(=O)N\N=C\c1ccc(o1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C20H16N2O5/c23-12-13-3-1-5-15(9-13)19(24)22-21-11-17-7-8-18(27-17)14-4-2-6-16(10-14)20(25)26/h1-11,23H,12H2,(H,22,24)(H,25,26)/b21-11+
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n/an/a 4.60E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human liver purified lactate dehydrogenase-A using pyruvate as substrate assessed as NADH oxidation for 3 mins by fluorimetric method


Eur J Med Chem 101: 63-70 (2015)


BindingDB Entry DOI: 10.7270/Q2NS0WQM
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50114399
PNG
(CHEMBL3608330)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)CC#N)o1
Show InChI InChI=1S/C15H11N3O4/c16-7-6-14(19)18-17-9-12-4-5-13(22-12)10-2-1-3-11(8-10)15(20)21/h1-5,8-9H,6H2,(H,18,19)(H,20,21)/b17-9+
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n/an/a 4.80E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human liver purified lactate dehydrogenase-A using pyruvate as substrate assessed as NADH oxidation for 3 mins by fluorimetric method


Eur J Med Chem 101: 63-70 (2015)


BindingDB Entry DOI: 10.7270/Q2NS0WQM
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50114404
PNG
(CHEMBL3608325)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1cc(co1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C22H20N2O7/c1-28-18-9-15(10-19(29-2)20(18)30-3)21(25)24-23-11-17-8-16(12-31-17)13-5-4-6-14(7-13)22(26)27/h4-12H,1-3H3,(H,24,25)(H,26,27)/b23-11+
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n/an/a 5.20E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of lactate dehydrogenase-A in human Raji cells assessed as reduction of intracellular lactate level after 3 hrs


Eur J Med Chem 101: 63-70 (2015)


BindingDB Entry DOI: 10.7270/Q2NS0WQM
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50114400
PNG
(CHEMBL3608329)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)c2ccc3[nH]ccc3c2)o1
Show InChI InChI=1S/C21H15N3O4/c25-20(15-4-6-18-13(10-15)8-9-22-18)24-23-12-17-5-7-19(28-17)14-2-1-3-16(11-14)21(26)27/h1-12,22H,(H,24,25)(H,26,27)/b23-12+
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of lactate dehydrogenase-A in human Raji cells assessed as reduction of intracellular lactate level after 3 hrs


Eur J Med Chem 101: 63-70 (2015)


BindingDB Entry DOI: 10.7270/Q2NS0WQM
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50114403
PNG
(CHEMBL3608326)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1ccc(s1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C22H20N2O6S/c1-28-17-10-15(11-18(29-2)20(17)30-3)21(25)24-23-12-16-7-8-19(31-16)13-5-4-6-14(9-13)22(26)27/h4-12H,1-3H3,(H,24,25)(H,26,27)/b23-12+
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n/an/a 1.05E+5n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of lactate dehydrogenase-A in human Raji cells assessed as reduction of intracellular lactate level after 3 hrs


Eur J Med Chem 101: 63-70 (2015)


BindingDB Entry DOI: 10.7270/Q2NS0WQM
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50114399
PNG
(CHEMBL3608330)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)CC#N)o1
Show InChI InChI=1S/C15H11N3O4/c16-7-6-14(19)18-17-9-12-4-5-13(22-12)10-2-1-3-11(8-10)15(20)21/h1-5,8-9H,6H2,(H,18,19)(H,20,21)/b17-9+
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n/an/a 1.15E+5n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of lactate dehydrogenase-A in human Raji cells assessed as reduction of intracellular lactate level after 3 hrs


Eur J Med Chem 101: 63-70 (2015)


BindingDB Entry DOI: 10.7270/Q2NS0WQM
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50114405
PNG
(CHEMBL3609813)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1ccc(o1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H20N2O7/c1-28-18-10-15(11-19(29-2)20(18)30-3)21(25)24-23-12-16-8-9-17(31-16)13-4-6-14(7-5-13)22(26)27/h4-12H,1-3H3,(H,24,25)(H,26,27)/b23-12+
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n/an/a 1.25E+5n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human liver purified lactate dehydrogenase-A using pyruvate as substrate assessed as NADH oxidation for 3 mins by fluorimetric method


Eur J Med Chem 101: 63-70 (2015)


BindingDB Entry DOI: 10.7270/Q2NS0WQM
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50114405
PNG
(CHEMBL3609813)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1ccc(o1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H20N2O7/c1-28-18-10-15(11-19(29-2)20(18)30-3)21(25)24-23-12-16-8-9-17(31-16)13-4-6-14(7-5-13)22(26)27/h4-12H,1-3H3,(H,24,25)(H,26,27)/b23-12+
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n/an/a 1.34E+5n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of lactate dehydrogenase-A in human Raji cells assessed as reduction of intracellular lactate level after 3 hrs


Eur J Med Chem 101: 63-70 (2015)


BindingDB Entry DOI: 10.7270/Q2NS0WQM
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50114401
PNG
(CHEMBL3608328)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)c2ccc3[nH]ncc3c2)o1
Show InChI InChI=1S/C20H14N4O4/c25-19(13-4-6-17-15(9-13)10-21-23-17)24-22-11-16-5-7-18(28-16)12-2-1-3-14(8-12)20(26)27/h1-11H,(H,21,23)(H,24,25)(H,26,27)/b22-11+
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of lactate dehydrogenase-A in human Raji cells assessed as reduction of intracellular lactate level after 3 hrs


Eur J Med Chem 101: 63-70 (2015)


BindingDB Entry DOI: 10.7270/Q2NS0WQM
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50114412
PNG
(CHEMBL3609812)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1cccc(n1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C23H21N3O6/c1-30-19-11-16(12-20(31-2)21(19)32-3)22(27)26-24-13-17-8-5-9-18(25-17)14-6-4-7-15(10-14)23(28)29/h4-13H,1-3H3,(H,26,27)(H,28,29)/b24-13+
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human liver purified lactate dehydrogenase-A using pyruvate as substrate assessed as NADH oxidation for 3 mins by fluorimetric method


Eur J Med Chem 101: 63-70 (2015)


BindingDB Entry DOI: 10.7270/Q2NS0WQM
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50114402
PNG
(CHEMBL3608327)
Show SMILES OCc1cccc(c1)C(=O)N\N=C\c1ccc(o1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C20H16N2O5/c23-12-13-3-1-5-15(9-13)19(24)22-21-11-17-7-8-18(27-17)14-4-2-6-16(10-14)20(25)26/h1-11,23H,12H2,(H,22,24)(H,25,26)/b21-11+
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of lactate dehydrogenase-A in human Raji cells assessed as reduction of intracellular lactate level after 3 hrs


Eur J Med Chem 101: 63-70 (2015)


BindingDB Entry DOI: 10.7270/Q2NS0WQM
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50114406
PNG
(CHEMBL3609811)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1c[nH]c(c1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C22H21N3O6/c1-29-18-9-16(10-19(30-2)20(18)31-3)21(26)25-24-12-13-7-17(23-11-13)14-5-4-6-15(8-14)22(27)28/h4-12,23H,1-3H3,(H,25,26)(H,27,28)/b24-12+
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of lactate dehydrogenase-A in human Raji cells assessed as reduction of intracellular lactate level after 3 hrs


Eur J Med Chem 101: 63-70 (2015)


BindingDB Entry DOI: 10.7270/Q2NS0WQM
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50114407
PNG
(CHEMBL3197264)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)c2cccnc2)o1
Show InChI InChI=1S/C18H13N3O4/c22-17(14-5-2-8-19-10-14)21-20-11-15-6-7-16(25-15)12-3-1-4-13(9-12)18(23)24/h1-11H,(H,21,22)(H,23,24)/b20-11+
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University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of lactate dehydrogenase-A in human Raji cells assessed as reduction of intracellular lactate level after 3 hrs


Eur J Med Chem 101: 63-70 (2015)


BindingDB Entry DOI: 10.7270/Q2NS0WQM
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50114408
PNG
(CHEMBL3609810)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc(\C=N\NC(=O)CC#N)o1
Show InChI InChI=1S/C15H11N3O4/c16-8-7-14(19)18-17-9-12-5-6-13(22-12)10-1-3-11(4-2-10)15(20)21/h1-6,9H,7H2,(H,18,19)(H,20,21)/b17-9+
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of lactate dehydrogenase-A in human Raji cells assessed as reduction of intracellular lactate level after 3 hrs


Eur J Med Chem 101: 63-70 (2015)


BindingDB Entry DOI: 10.7270/Q2NS0WQM
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50114410
PNG
(CHEMBL3608332)
Show SMILES COC(=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)c2cccnc2)o1
Show InChI InChI=1S/C19H15N3O4/c1-25-19(24)14-5-2-4-13(10-14)17-8-7-16(26-17)12-21-22-18(23)15-6-3-9-20-11-15/h2-12H,1H3,(H,22,23)/b21-12+
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University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human liver purified lactate dehydrogenase-A using pyruvate as substrate assessed as NADH oxidation for 3 mins by fluorimetric method


Eur J Med Chem 101: 63-70 (2015)


BindingDB Entry DOI: 10.7270/Q2NS0WQM
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50114411
PNG
(CHEMBL3608331)
Show SMILES OC(=O)c1ccc(cc1)-c1cccc(\C=N\NC(=O)CC#N)n1
Show InChI InChI=1S/C16H12N4O3/c17-9-8-15(21)20-18-10-13-2-1-3-14(19-13)11-4-6-12(7-5-11)16(22)23/h1-7,10H,8H2,(H,20,21)(H,22,23)/b18-10+
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human liver purified lactate dehydrogenase-A using pyruvate as substrate assessed as NADH oxidation for 3 mins by fluorimetric method


Eur J Med Chem 101: 63-70 (2015)


BindingDB Entry DOI: 10.7270/Q2NS0WQM
More data for this
Ligand-Target Pair
RAD51-BRCA2 BRC repeat complex


(Homo sapiens (Human))
BDBM65519
PNG
(F0665-0303 | N-cyclopentyl-2-((5-((2-oxobenzo[d]th...)
Show SMILES O=C(CSc1nnc(Cn2c3ccccc3sc2=O)n1CCc1ccccc1)NC1CCCC1
Show InChI InChI=1S/C25H27N5O2S2/c31-23(26-19-10-4-5-11-19)17-33-24-28-27-22(29(24)15-14-18-8-2-1-3-9-18)16-30-20-12-6-7-13-21(20)34-25(30)32/h1-3,6-9,12-13,19H,4-5,10-11,14-17H2,(H,26,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.30E+4n/an/an/an/a



Istituto Italiano di Tecnologia



Assay Description
This assay is an efficient tool for directly measuring inhibition of the BRC4−Rad51 interaction, at a molecular level, which is described by Ra...


ACS Chem Biol 12: 2491-2497 (2017)


Article DOI: 10.1021/acschembio.7b00707
BindingDB Entry DOI: 10.7270/Q2WS8RD4
More data for this
Ligand-Target Pair
RAD51-BRCA2 BRC repeat complex


(Homo sapiens (Human))
BDBM65520
PNG
(N-cyclopentyl-2-((5-((2-oxobenzo[d]thiazol-3(2H)-y...)
Show SMILES O=C(CSc1nnc(Cn2c3ccccc3sc2=O)n1CCCc1ccccc1)NC1CCCC1
Show InChI InChI=1S/C26H29N5O2S2/c32-24(27-20-12-4-5-13-20)18-34-25-29-28-23(30(25)16-8-11-19-9-2-1-3-10-19)17-31-21-14-6-7-15-22(21)35-26(31)33/h1-3,6-7,9-10,14-15,20H,4-5,8,11-13,16-18H2,(H,27,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.50E+4n/an/an/an/a



Istituto Italiano di Tecnologia



Assay Description
This assay is an efficient tool for directly measuring inhibition of the BRC4−Rad51 interaction, at a molecular level, which is described by Ra...


ACS Chem Biol 12: 2491-2497 (2017)


Article DOI: 10.1021/acschembio.7b00707
BindingDB Entry DOI: 10.7270/Q2WS8RD4
More data for this
Ligand-Target Pair