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Compile Data Set for Download or QSAR

Found 89 hits Enz. Inhib. hit(s) with Target = 'Pyruvate kinase (PKM2)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM82190
PNG
(Salicylic acid derivative, compound 2)
Show SMILES Cc1ccc(C)n1-c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C13H13NO3/c1-8-3-4-9(2)14(8)10-5-6-12(15)11(7-10)13(16)17/h3-7,15H,1-2H3,(H,16,17)
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US Patent
n/an/a 7.00E+3n/an/an/an/an/an/a



Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Primary screening was performed using PKM2 in the presence of FBP. Compounds were chosen as potential "hits" if the compound demonstrated inhibition ...


US Patent US8877791 (2014)

More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50261993
PNG
(5-(methylthio)thiophene-2-carboxylic acid | CHEMBL...)
Show SMILES CSc1ccc(s1)C(O)=O
Show InChI InChI=1S/C6H6O2S2/c1-9-5-3-2-4(10-5)6(7)8/h2-3H,1H3,(H,7,8)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Primary screening was performed using PKM2 in the presence of FBP. Compounds were chosen as potential "hits" if the compound demonstrated inhibition ...


US Patent US8877791 (2014)

More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM138386
PNG
(US8877791, B1)
Show SMILES CCCCCN1\C(=C\C=C\c2n(CCCCC)c3cc(Cl)c(Cl)cc3[n+]2CCCC)N(CCCC)c2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C35H47Cl4N4/c1-5-9-13-20-42-32-24-28(38)26(36)22-30(32)40(18-11-7-3)34(42)16-15-17-35-41(19-12-8-4)31-23-27(37)29(39)25-33(31)43(35)21-14-10-6-2/h15-17,22-25H,5-14,18-21H2,1-4H3/q+1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Primary screening was performed using PKM2 in the presence of FBP. Compounds were chosen as potential "hits" if the compound demonstrated inhibition ...


US Patent US8877791 (2014)

More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM138387
PNG
(US8877791, D1)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(OC(=O)c3ccccc3I)cc2)C1=O
Show InChI InChI=1S/C19H12INO5S2/c20-14-4-2-1-3-13(14)18(25)26-12-7-5-11(6-8-12)9-15-17(24)21(10-16(22)23)19(27)28-15/h1-9H,10H2,(H,22,23)/b15-9-
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n/an/a 2.00E+4n/an/an/an/an/an/a



Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Primary screening was performed using PKM2 in the presence of FBP. Compounds were chosen as potential "hits" if the compound demonstrated inhibition ...


US Patent US8877791 (2014)

More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50029022
PNG
(CHEMBL3339205)
Show SMILES [O-][N+](=O)c1ccc2c(CCc3c[nH]c4ccccc34)c[nH]c2c1
Show InChI InChI=1S/C18H15N3O2/c22-21(23)14-7-8-16-13(11-20-18(16)9-14)6-5-12-10-19-17-4-2-1-3-15(12)17/h1-4,7-11,19-20H,5-6H2
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n/an/a 5.46E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of purified human N-terminal His-tagged PK-M2 by LDH-coupled continuous assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM138388
PNG
(US8877791, G1)
Show SMILES CC(C)NC(=C)c1cc2c(s1)c1cc(C)ccc1oc2=O
Show InChI InChI=1S/C17H17NO2S/c1-9(2)18-11(4)15-8-13-16(21-15)12-7-10(3)5-6-14(12)20-17(13)19/h5-9,18H,4H2,1-3H3
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n/an/a 7.00E+4n/an/an/an/an/an/a



Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Primary screening was performed using PKM2 in the presence of FBP. Compounds were chosen as potential "hits" if the compound demonstrated inhibition ...


US Patent US8877791 (2014)

More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM138385
PNG
(US8877791, A1)
Show SMILES CC(=O)CSc1ccc(cc1)-n1c(C)ccc1C
Show InChI InChI=1S/C15H17NOS/c1-11-4-5-12(2)16(11)14-6-8-15(9-7-14)18-10-13(3)17/h4-9H,10H2,1-3H3
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n/an/a 9.00E+4n/an/an/an/an/an/a



Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Primary screening was performed using PKM2 in the presence of FBP. Compounds were chosen as potential "hits" if the compound demonstrated inhibition ...


US Patent US8877791 (2014)

More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM138389
PNG
(US8877791, H1)
Show SMILES O=C1C2C3CC(C=C3)C2C(=O)N1c1nc[nH]n1
Show InChI InChI=1/C11H10N4O2/c16-9-7-5-1-2-6(3-5)8(7)10(17)15(9)11-12-4-13-14-11/h1-2,4-8H,3H2,(H,12,13,14)
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n/an/a 9.00E+4n/an/an/an/an/an/a



Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Primary screening was performed using PKM2 in the presence of FBP. Compounds were chosen as potential "hits" if the compound demonstrated inhibition ...


US Patent US8877791 (2014)

More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50029022
PNG
(CHEMBL3339205)
Show SMILES [O-][N+](=O)c1ccc2c(CCc3c[nH]c4ccccc34)c[nH]c2c1
Show InChI InChI=1S/C18H15N3O2/c22-21(23)14-7-8-16-13(11-20-18(16)9-14)6-5-12-10-19-17-4-2-1-3-15(12)17/h1-4,7-11,19-20H,5-6H2
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n/an/a 9.59E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of purified human N-terminal His-tagged PK-M1 by LDH-coupled continuous assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM11995
PNG
(2-chloro-5-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic ac...)
Show SMILES Cc1ccc(C)n1-c1ccc(Cl)c(c1)C(O)=O
Show InChI InChI=1S/C13H12ClNO2/c1-8-3-4-9(2)15(8)10-5-6-12(14)11(7-10)13(16)17/h3-7H,1-2H3,(H,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Primary screening was performed using PKM2 in the presence of FBP. Compounds were chosen as potential "hits" if the compound demonstrated inhibition ...


US Patent US8877791 (2014)

More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361546
PNG
(CHEMBL1938908)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1C
Show InChI InChI=1S/C15H15N3O3S/c1-9-3-4-11(7-10(9)2)18-22(20,21)12-5-6-13-14(8-12)17-15(19)16-13/h3-8,18H,1-2H3,(H2,16,17,19)
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n/an/an/an/a>2.00E+4n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361547
PNG
(CHEMBL1376335)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc3OCC(=O)Nc3c2)cc1C
Show InChI InChI=1S/C16H16N2O4S/c1-10-3-4-12(7-11(10)2)18-23(20,21)13-5-6-15-14(8-13)17-16(19)9-22-15/h3-8,18H,9H2,1-2H3,(H,17,19)
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n/an/an/an/a 1.34E+4n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361548
PNG
(CHEMBL1938907)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc3OC(C)(C)CCc3c2)cc1C
Show InChI InChI=1S/C19H23NO3S/c1-13-5-6-16(11-14(13)2)20-24(21,22)17-7-8-18-15(12-17)9-10-19(3,4)23-18/h5-8,11-12,20H,9-10H2,1-4H3
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n/an/an/an/a 1.00E+4n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361549
PNG
(CHEMBL1938906)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(C)c(C)c1
Show InChI InChI=1S/C15H17NO3S/c1-11-4-5-13(10-12(11)2)16-20(17,18)15-8-6-14(19-3)7-9-15/h4-10,16H,1-3H3
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n/an/an/an/a 1.73E+4n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361550
PNG
(CHEMBL1938905)
Show SMILES Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1C
Show InChI InChI=1S/C14H14ClNO2S/c1-10-6-7-13(8-11(10)2)16-19(17,18)14-5-3-4-12(15)9-14/h3-9,16H,1-2H3
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n/an/an/an/a 1.83E+4n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361551
PNG
(CHEMBL1938904)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1C
Show InChI InChI=1S/C18H17NO2S/c1-13-7-9-17(11-14(13)2)19-22(20,21)18-10-8-15-5-3-4-6-16(15)12-18/h3-12,19H,1-2H3
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n/an/an/an/a 1.84E+4n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361552
PNG
(CHEMBL1938903)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1C
Show InChI InChI=1S/C14H14FNO2S/c1-10-3-6-13(9-11(10)2)16-19(17,18)14-7-4-12(15)5-8-14/h3-9,16H,1-2H3
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n/an/an/an/a>2.00E+4n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361553
PNG
(CHEMBL1938902)
Show SMILES Cc1ccc(NS(=O)(=O)c2cccc(c2)C(O)=O)cc1C
Show InChI InChI=1S/C15H15NO4S/c1-10-6-7-13(8-11(10)2)16-21(19,20)14-5-3-4-12(9-14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
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n/an/an/an/a>2.00E+4n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361554
PNG
(CHEMBL1938901)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc3n(C)ccc3c2)cc1C
Show InChI InChI=1S/C17H18N2O2S/c1-12-4-5-15(10-13(12)2)18-22(20,21)16-6-7-17-14(11-16)8-9-19(17)3/h4-11,18H,1-3H3
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n/an/an/an/a 1.99E+4n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361555
PNG
(CHEMBL1509101)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc3NC(=O)CCc3c2)cc1C
Show InChI InChI=1S/C17H18N2O3S/c1-11-3-5-14(9-12(11)2)19-23(21,22)15-6-7-16-13(10-15)4-8-17(20)18-16/h3,5-7,9-10,19H,4,8H2,1-2H3,(H,18,20)
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n/an/an/an/a 790n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361556
PNG
(CHEMBL1085587)
Show SMILES COc1cccc(Cn2ncc3c4sc(cc4n(C)c3c2=O)S(C)=O)c1
Show InChI InChI=1S/C18H17N3O3S2/c1-20-14-8-15(26(3)23)25-17(14)13-9-19-21(18(22)16(13)20)10-11-5-4-6-12(7-11)24-2/h4-9H,10H2,1-3H3
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n/an/an/an/a 73n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361557
PNG
(CHEMBL1089334)
Show SMILES Nc1cccc(c1)S(=O)(=O)N1CCCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C19H23N3O6S2/c20-15-3-1-4-16(13-15)29(23,24)21-7-2-8-22(10-9-21)30(25,26)17-5-6-18-19(14-17)28-12-11-27-18/h1,3-6,13-14H,2,7-12,20H2
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n/an/an/an/a 38n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361482
PNG
(CHEMBL1939121)
Show SMILES C[C@@H](CO)Nc1cc2CCC(=O)Nc2cc1S(=O)(=O)Nc1ccc(C)c(Cl)c1
Show InChI InChI=1S/C19H22ClN3O4S/c1-11-3-5-14(8-15(11)20)23-28(26,27)18-9-16-13(4-6-19(25)22-16)7-17(18)21-12(2)10-24/h3,5,7-9,12,21,23-24H,4,6,10H2,1-2H3,(H,22,25)/t12-/m0/s1
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n/an/an/an/a 6.10E+3n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361483
PNG
(CHEMBL1939120)
Show SMILES C[C@@H](CO)Nc1cc2CCC(=O)Nc2cc1S(=O)(=O)Nc1ccc(C)c(C)c1
Show InChI InChI=1S/C20H25N3O4S/c1-12-4-6-16(8-13(12)2)23-28(26,27)19-10-17-15(5-7-20(25)22-17)9-18(19)21-14(3)11-24/h4,6,8-10,14,21,23-24H,5,7,11H2,1-3H3,(H,22,25)/t14-/m0/s1
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n/an/an/an/a 6.10E+3n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361484
PNG
(CHEMBL1939119)
Show SMILES Cc1ccc(NS(=O)(=O)c2cc3NC(=O)CCc3cc2Br)cc1Cl
Show InChI InChI=1S/C16H14BrClN2O3S/c1-9-2-4-11(7-13(9)18)20-24(22,23)15-8-14-10(6-12(15)17)3-5-16(21)19-14/h2,4,6-8,20H,3,5H2,1H3,(H,19,21)
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n/an/an/an/a 7.43E+3n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361485
PNG
(CHEMBL1939118)
Show SMILES Cc1ccc(NS(=O)(=O)c2cc3NC(=O)CCc3cc2Br)cc1C
Show InChI InChI=1S/C17H17BrN2O3S/c1-10-3-5-13(7-11(10)2)20-24(22,23)16-9-15-12(8-14(16)18)4-6-17(21)19-15/h3,5,7-9,20H,4,6H2,1-2H3,(H,19,21)
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n/an/an/an/a 6.60E+3n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361486
PNG
(CHEMBL1939117)
Show SMILES CN(C)c1cc2CCC(=O)Nc2cc1S(=O)(=O)Nc1ccc(C)c(C)c1
Show InChI InChI=1S/C19H23N3O3S/c1-12-5-7-15(9-13(12)2)21-26(24,25)18-11-16-14(6-8-19(23)20-16)10-17(18)22(3)4/h5,7,9-11,21H,6,8H2,1-4H3,(H,20,23)
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n/an/an/an/a 210n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361487
PNG
(CHEMBL1939116)
Show SMILES Cc1ccc(NS(=O)(=O)c2cc3NC(=O)CCc3cc2Cl)cc1Cl
Show InChI InChI=1S/C16H14Cl2N2O3S/c1-9-2-4-11(7-12(9)17)20-24(22,23)15-8-14-10(6-13(15)18)3-5-16(21)19-14/h2,4,6-8,20H,3,5H2,1H3,(H,19,21)
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n/an/an/an/a 90n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361488
PNG
(CHEMBL1939115)
Show SMILES Cc1ccc(NS(=O)(=O)c2cc3NC(=O)CCc3cc2Cl)cc1C
Show InChI InChI=1S/C17H17ClN2O3S/c1-10-3-5-13(7-11(10)2)20-24(22,23)16-9-15-12(8-14(16)18)4-6-17(21)19-15/h3,5,7-9,20H,4,6H2,1-2H3,(H,19,21)
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n/an/an/an/a 70n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361489
PNG
(CHEMBL1939114)
Show SMILES C[C@@H](CO)Nc1cc2NC(=O)CCc2cc1S(=O)(=O)Nc1ccc(F)c(C)c1
Show InChI InChI=1S/C19H22FN3O4S/c1-11-7-14(4-5-15(11)20)23-28(26,27)18-8-13-3-6-19(25)22-16(13)9-17(18)21-12(2)10-24/h4-5,7-9,12,21,23-24H,3,6,10H2,1-2H3,(H,22,25)/t12-/m0/s1
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n/an/an/an/a 290n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361490
PNG
(CHEMBL1939113)
Show SMILES C[C@@H](CO)Nc1cc2NC(=O)CCc2cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H19ClFN3O4S/c1-10(9-24)21-16-8-15-11(2-5-18(25)22-15)6-17(16)28(26,27)23-12-3-4-14(20)13(19)7-12/h3-4,6-8,10,21,23-24H,2,5,9H2,1H3,(H,22,25)/t10-/m0/s1
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n/an/an/an/a 130n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361491
PNG
(CHEMBL1939112)
Show SMILES C[C@@H](CO)Nc1cc2NC(=O)CCc2cc1S(=O)(=O)Nc1ccc(C)c(Cl)c1
Show InChI InChI=1S/C19H22ClN3O4S/c1-11-3-5-14(8-15(11)20)23-28(26,27)18-7-13-4-6-19(25)22-16(13)9-17(18)21-12(2)10-24/h3,5,7-9,12,21,23-24H,4,6,10H2,1-2H3,(H,22,25)/t12-/m0/s1
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n/an/an/an/a 60n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361492
PNG
(CHEMBL1939111)
Show SMILES Cc1cc(NS(=O)(=O)c2cc3CCC(=O)Nc3cc2F)ccc1F
Show InChI InChI=1S/C16H14F2N2O3S/c1-9-6-11(3-4-12(9)17)20-24(22,23)15-7-10-2-5-16(21)19-14(10)8-13(15)18/h3-4,6-8,20H,2,5H2,1H3,(H,19,21)
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n/an/an/an/a 240n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361493
PNG
(CHEMBL1939110)
Show SMILES Fc1ccc(NS(=O)(=O)c2cc3CCC(=O)Nc3cc2F)cc1Cl
Show InChI InChI=1S/C15H11ClF2N2O3S/c16-10-6-9(2-3-11(10)17)20-24(22,23)14-5-8-1-4-15(21)19-13(8)7-12(14)18/h2-3,5-7,20H,1,4H2,(H,19,21)
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n/an/an/an/a 90n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361494
PNG
(CHEMBL1939109)
Show SMILES Cc1cc(NS(=O)(=O)c2cc3CCC(=O)Nc3cc2F)ccc1Cl
Show InChI InChI=1S/C16H14ClFN2O3S/c1-9-6-11(3-4-12(9)17)20-24(22,23)15-7-10-2-5-16(21)19-14(10)8-13(15)18/h3-4,6-8,20H,2,5H2,1H3,(H,19,21)
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n/an/an/an/a 600n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361495
PNG
(CHEMBL1939108)
Show SMILES Cc1ccc(NS(=O)(=O)c2cc3CCC(=O)Nc3cc2F)cc1Cl
Show InChI InChI=1S/C16H14ClFN2O3S/c1-9-2-4-11(7-12(9)17)20-24(22,23)15-6-10-3-5-16(21)19-14(10)8-13(15)18/h2,4,6-8,20H,3,5H2,1H3,(H,19,21)
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n/an/an/an/a 140n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361496
PNG
(CHEMBL1939107)
Show SMILES C[C@@H](CO)Nc1cc2NC(=O)CCc2cc1S(=O)(=O)Nc1ccc(C)c(C)c1
Show InChI InChI=1S/C20H25N3O4S/c1-12-4-6-16(8-13(12)2)23-28(26,27)19-9-15-5-7-20(25)22-17(15)10-18(19)21-14(3)11-24/h4,6,8-10,14,21,23-24H,5,7,11H2,1-3H3,(H,22,25)/t14-/m0/s1
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n/an/an/an/a 170n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361497
PNG
(CHEMBL1939106)
Show SMILES C[C@H](CO)Nc1cc2NC(=O)CCc2cc1S(=O)(=O)Nc1ccc(C)c(C)c1
Show InChI InChI=1S/C20H25N3O4S/c1-12-4-6-16(8-13(12)2)23-28(26,27)19-9-15-5-7-20(25)22-17(15)10-18(19)21-14(3)11-24/h4,6,8-10,14,21,23-24H,5,7,11H2,1-3H3,(H,22,25)/t14-/m1/s1
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n/an/an/an/a 880n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361496
PNG
(CHEMBL1939107)
Show SMILES C[C@@H](CO)Nc1cc2NC(=O)CCc2cc1S(=O)(=O)Nc1ccc(C)c(C)c1
Show InChI InChI=1S/C20H25N3O4S/c1-12-4-6-16(8-13(12)2)23-28(26,27)19-9-15-5-7-20(25)22-17(15)10-18(19)21-14(3)11-24/h4,6,8-10,14,21,23-24H,5,7,11H2,1-3H3,(H,22,25)/t14-/m0/s1
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n/an/an/an/a 230n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361498
PNG
(CHEMBL1939104)
Show SMILES Cc1ccc(NS(=O)(=O)c2cc3CCC(=O)Nc3cc2NCCO)cc1C
Show InChI InChI=1S/C19H23N3O4S/c1-12-3-5-15(9-13(12)2)22-27(25,26)18-10-14-4-6-19(24)21-16(14)11-17(18)20-7-8-23/h3,5,9-11,20,22-23H,4,6-8H2,1-2H3,(H,21,24)
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n/an/an/an/a 180n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361499
PNG
(CHEMBL1939103)
Show SMILES Cc1ccc(NS(=O)(=O)c2cc3CCC(=O)Nc3cc2NCC(C)(C)O)cc1C
Show InChI InChI=1S/C21H27N3O4S/c1-13-5-7-16(9-14(13)2)24-29(27,28)19-10-15-6-8-20(25)23-17(15)11-18(19)22-12-21(3,4)26/h5,7,9-11,22,24,26H,6,8,12H2,1-4H3,(H,23,25)
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n/an/an/an/a 2.10E+3n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361500
PNG
(CHEMBL1939102)
Show SMILES CC(C)Nc1cc2NC(=O)CCc2cc1S(=O)(=O)Nc1ccc(C)c(C)c1
Show InChI InChI=1S/C20H25N3O3S/c1-12(2)21-18-11-17-15(6-8-20(24)22-17)10-19(18)27(25,26)23-16-7-5-13(3)14(4)9-16/h5,7,9-12,21,23H,6,8H2,1-4H3,(H,22,24)
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n/an/an/an/a 570n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361501
PNG
(CHEMBL1939101)
Show SMILES Cc1ccc(NS(=O)(=O)c2cc3CCC(=O)Nc3cc2N2CCCCC2)cc1C
Show InChI InChI=1S/C22H27N3O3S/c1-15-6-8-18(12-16(15)2)24-29(27,28)21-13-17-7-9-22(26)23-19(17)14-20(21)25-10-4-3-5-11-25/h6,8,12-14,24H,3-5,7,9-11H2,1-2H3,(H,23,26)
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n/an/an/an/a 1.83E+4n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361502
PNG
(CHEMBL1939100)
Show SMILES CN(C)C1CCN(C1)c1cc2NC(=O)CCc2cc1S(=O)(=O)Nc1ccc(C)c(C)c1
Show InChI InChI=1S/C23H30N4O3S/c1-15-5-7-18(11-16(15)2)25-31(29,30)22-12-17-6-8-23(28)24-20(17)13-21(22)27-10-9-19(14-27)26(3)4/h5,7,11-13,19,25H,6,8-10,14H2,1-4H3,(H,24,28)
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n/an/an/an/a>2.00E+4n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361503
PNG
(CHEMBL1939099)
Show SMILES Cc1ccc(NS(=O)(=O)c2cc3CCC(=O)Nc3cc2N2CCCC2)cc1C
Show InChI InChI=1S/C21H25N3O3S/c1-14-5-7-17(11-15(14)2)23-28(26,27)20-12-16-6-8-21(25)22-18(16)13-19(20)24-9-3-4-10-24/h5,7,11-13,23H,3-4,6,8-10H2,1-2H3,(H,22,25)
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n/an/an/an/a 510n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361504
PNG
(CHEMBL1939098)
Show SMILES CNc1cc2NC(=O)CCc2cc1S(=O)(=O)Nc1ccc(C)c(C)c1
Show InChI InChI=1S/C18H21N3O3S/c1-11-4-6-14(8-12(11)2)21-25(23,24)17-9-13-5-7-18(22)20-15(13)10-16(17)19-3/h4,6,8-10,19,21H,5,7H2,1-3H3,(H,20,22)
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n/an/an/an/a 440n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361505
PNG
(CHEMBL1939097)
Show SMILES CCN(CC)c1cc2NC(=O)CCc2cc1S(=O)(=O)Nc1ccc(C)c(C)c1
Show InChI InChI=1S/C21H27N3O3S/c1-5-24(6-2)19-13-18-16(8-10-21(25)22-18)12-20(19)28(26,27)23-17-9-7-14(3)15(4)11-17/h7,9,11-13,23H,5-6,8,10H2,1-4H3,(H,22,25)
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n/an/an/an/a 3.80E+3n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361506
PNG
(CHEMBL1939096)
Show SMILES CN(C)c1cc2NC(=O)CCc2cc1S(=O)(=O)Nc1ccc(C)c(C)c1
Show InChI InChI=1S/C19H23N3O3S/c1-12-5-7-15(9-13(12)2)21-26(24,25)18-10-14-6-8-19(23)20-16(14)11-17(18)22(3)4/h5,7,9-11,21H,6,8H2,1-4H3,(H,20,23)
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n/an/an/an/a 220n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361507
PNG
(CHEMBL1939095)
Show SMILES Cc1ccc(NS(=O)(=O)c2cc3CCC(=O)Nc3cc2F)cc1C
Show InChI InChI=1S/C17H17FN2O3S/c1-10-3-5-13(7-11(10)2)20-24(22,23)16-8-12-4-6-17(21)19-15(12)9-14(16)18/h3,5,7-9,20H,4,6H2,1-2H3,(H,19,21)
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n/an/an/an/a 210n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50361508
PNG
(CHEMBL1939094)
Show SMILES Cc1ccc(NS(=O)(=O)c2cc3OCC(=O)Nc3cc2Cl)cc1C
Show InChI InChI=1S/C16H15ClN2O4S/c1-9-3-4-11(5-10(9)2)19-24(21,22)15-7-14-13(6-12(15)17)18-16(20)8-23-14/h3-7,19H,8H2,1-2H3,(H,18,20)
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Purchase

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n/an/an/an/a 260n/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay


Citation and Details
More data for this
Ligand-Target Pair
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