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Compile Data Set for Download or QSAR

Found 530 hits with Last Name = 'campbell' and Initial = 'am'   
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
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147315
PNG
(2-(4-(3-fluorophenyl)piperidine-1-carbonyl)-4-(2-m...)
Show SMILES COCCc1c(C)n(oc1=O)C(=O)N1CCC(CC1)c1cccc(F)c1
Show InChI InChI=1S/C19H23FN2O4/c1-13-17(8-11-25-2)18(23)26-22(13)19(24)21-9-6-14(7-10-21)15-4-3-5-16(20)12-15/h3-5,12,14H,6-11H2,1-2H3
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n/an/a 0.200n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM383860
PNG
(US10280150, Cmpd No I-143 | US10550099, Compound I...)
Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ncc(C#N)c(OC)n1 |r|
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Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Myc-DDK-tagged IDH1 R132H mutant expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire hi...


J Med Chem 62: 6575-6596 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00362
BindingDB Entry DOI: 10.7270/Q2VD72TR
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147299
PNG
(4-Butyl-3-methyl-2-(4-methyl-piperidine-1-carbonyl...)
Show SMILES CCCCc1c(C)n(oc1=O)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C15H24N2O3/c1-4-5-6-13-12(3)17(20-14(13)18)15(19)16-9-7-11(2)8-10-16/h11H,4-10H2,1-3H3
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147297
PNG
(4-Isopropyl-2-[4-(3-methoxy-phenyl)-piperazine-1-c...)
Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)n1oc(=O)c(C(C)C)c1C
Show InChI InChI=1S/C19H25N3O4/c1-13(2)17-14(3)22(26-18(17)23)19(24)21-10-8-20(9-11-21)15-6-5-7-16(12-15)25-4/h5-7,12-13H,8-11H2,1-4H3
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM50503280
PNG
(CHEMBL4469055 | US11311527, Cpd ID I-26 | US113762...)
Show SMILES C[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)c(O[C@H](C)c3ccccn3)cc2[nH]c1=O |r|
Show InChI InChI=1S/C25H22ClN5O3/c1-14(29-21-8-7-17(13-27)31(3)25(21)33)18-10-16-11-19(26)23(12-22(16)30-24(18)32)34-15(2)20-6-4-5-9-28-20/h4-12,14-15,29H,1-3H3,(H,30,32)/t14-,15+/m0/s1
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FORMA Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of IDH1 R132H mutant in human HCT116 cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometr...


J Med Chem 63: 1612-1623 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01423
BindingDB Entry DOI: 10.7270/Q2J106F7
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147270
PNG
(3-Methyl-4-(2-phenoxy-ethyl)-2-(piperidine-1-carbo...)
Show SMILES Cc1c(CCOc2ccccc2)c(=O)on1C(=O)N1CCCCC1
Show InChI InChI=1S/C18H22N2O4/c1-14-16(10-13-23-15-8-4-2-5-9-15)17(21)24-20(14)18(22)19-11-6-3-7-12-19/h2,4-5,8-9H,3,6-7,10-13H2,1H3
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM50503263
PNG
(CHEMBL4464313 | US11311527, Cpd ID I-23 | US113762...)
Show SMILES C[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]c1=O |r|
Show InChI InChI=1S/C24H20ClN5O3/c1-14(28-20-7-6-17(12-26)30(2)24(20)32)18-9-15-10-19(25)22(11-21(15)29-23(18)31)33-13-16-5-3-4-8-27-16/h3-11,14,28H,13H2,1-2H3,(H,29,31)/t14-/m0/s1
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FORMA Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of IDH1 R132H mutant in human HCT116 cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometr...


J Med Chem 63: 1612-1623 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01423
BindingDB Entry DOI: 10.7270/Q2J106F7
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM50503260
PNG
(CHEMBL4456610 | US11311527, Cpd ID I-27 | US113762...)
Show SMILES C[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)c(OCC3CC3)cc2[nH]c1=O |r|
Show InChI InChI=1S/C22H21ClN4O3/c1-12(25-18-6-5-15(10-24)27(2)22(18)29)16-7-14-8-17(23)20(30-11-13-3-4-13)9-19(14)26-21(16)28/h5-9,12-13,25H,3-4,11H2,1-2H3,(H,26,28)/t12-/m0/s1
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FORMA Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of IDH1 R132H mutant in human HCT116 cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometr...


J Med Chem 63: 1612-1623 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01423
BindingDB Entry DOI: 10.7270/Q2J106F7
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147243
PNG
(4-Isopropyl-3-methyl-2-(piperidine-1-carbonyl)-2H-...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCCCC1
Show InChI InChI=1S/C13H20N2O3/c1-9(2)11-10(3)15(18-12(11)16)13(17)14-7-5-4-6-8-14/h9H,4-8H2,1-3H3
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM50503280
PNG
(CHEMBL4469055 | US11311527, Cpd ID I-26 | US113762...)
Show SMILES C[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)c(O[C@H](C)c3ccccn3)cc2[nH]c1=O |r|
Show InChI InChI=1S/C25H22ClN5O3/c1-14(29-21-8-7-17(13-27)31(3)25(21)33)18-10-16-11-19(26)23(12-22(16)30-24(18)32)34-15(2)20-6-4-5-9-28-20/h4-12,14-15,29H,1-3H3,(H,30,32)/t14-,15+/m0/s1
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FORMA Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of IDH1 R132C mutant in human HCT116 cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometr...


J Med Chem 63: 1612-1623 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01423
BindingDB Entry DOI: 10.7270/Q2J106F7
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147251
PNG
(4-Isopropyl-3-methyl-5-oxo-5H-isoxazole-2-carboxyl...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N(C)Cc1cccs1
Show InChI InChI=1S/C14H18N2O3S/c1-9(2)12-10(3)16(19-13(12)17)14(18)15(4)8-11-6-5-7-20-11/h5-7,9H,8H2,1-4H3
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147281
PNG
(4-Isobutyl-3-methyl-2-(4-methyl-piperidine-1-carbo...)
Show SMILES CC(C)Cc1c(C)n(oc1=O)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C15H24N2O3/c1-10(2)9-13-12(4)17(20-14(13)18)15(19)16-7-5-11(3)6-8-16/h10-11H,5-9H2,1-4H3
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50138735
PNG
((S)-4-isopropyl-3-methyl-2-(3-methylpiperidine-1-c...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCC[C@H](C)C1 |r|
Show InChI InChI=1S/C14H22N2O3/c1-9(2)12-11(4)16(19-13(12)17)14(18)15-7-5-6-10(3)8-15/h9-10H,5-8H2,1-4H3/t10-/m0/s1
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147257
PNG
(4-(2-Ethoxy-ethyl)-3-methyl-2-(4-methyl-piperidine...)
Show SMILES CCOCCc1c(C)n(oc1=O)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C15H24N2O4/c1-4-20-10-7-13-12(3)17(21-14(13)18)15(19)16-8-5-11(2)6-9-16/h11H,4-10H2,1-3H3
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM383860
PNG
(US10280150, Cmpd No I-143 | US10550099, Compound I...)
Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ncc(C#N)c(OC)n1 |r|
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Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Myc-DDK-tagged IDH1 R132G mutant expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire hi...


J Med Chem 62: 6575-6596 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00362
BindingDB Entry DOI: 10.7270/Q2VD72TR
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147251
PNG
(4-Isopropyl-3-methyl-5-oxo-5H-isoxazole-2-carboxyl...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N(C)Cc1cccs1
Show InChI InChI=1S/C14H18N2O3S/c1-9(2)12-10(3)16(19-13(12)17)14(18)15(4)8-11-6-5-7-20-11/h5-7,9H,8H2,1-4H3
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147279
PNG
(4-Isopropyl-3-methyl-5-oxo-5H-isoxazole-2-carboxyl...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N(C)Cc1ccccc1F
Show InChI InChI=1S/C16H19FN2O3/c1-10(2)14-11(3)19(22-15(14)20)16(21)18(4)9-12-7-5-6-8-13(12)17/h5-8,10H,9H2,1-4H3
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM50506480
PNG
(CHEMBL4437754 | US11311527, Cpd ID I-20 | US113762...)
Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ccc(C#N)n(C)c1=O |r|
Show InChI InChI=1S/C19H17ClN4O3/c1-10(22-15-5-4-12(9-21)24(2)19(15)26)13-6-11-7-14(20)17(27-3)8-16(11)23-18(13)25/h4-8,10,22H,1-3H3,(H,23,25)/t10-/m0/s1
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FORMA Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of IDH1 R132H mutant in human HCT116 cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometr...


J Med Chem 63: 1612-1623 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01423
BindingDB Entry DOI: 10.7270/Q2J106F7
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147253
PNG
(2-(4-(3-fluorophenyl)piperidine-1-carbonyl)-4-isop...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCC(CC1)c1cccc(F)c1
Show InChI InChI=1S/C19H23FN2O3/c1-12(2)17-13(3)22(25-18(17)23)19(24)21-9-7-14(8-10-21)15-5-4-6-16(20)11-15/h4-6,11-12,14H,7-10H2,1-3H3
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM383892
PNG
(US10280150, Cmpd No I-175 | US10550099, Compound I...)
Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)c(OC(C)C)cc3[nH]c2=O)ncc1C#N |r|
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Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of IDH1 R132H mutant in human HCT116 cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometr...


J Med Chem 62: 6575-6596 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00362
BindingDB Entry DOI: 10.7270/Q2VD72TR
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147270
PNG
(3-Methyl-4-(2-phenoxy-ethyl)-2-(piperidine-1-carbo...)
Show SMILES Cc1c(CCOc2ccccc2)c(=O)on1C(=O)N1CCCCC1
Show InChI InChI=1S/C18H22N2O4/c1-14-16(10-13-23-15-8-4-2-5-9-15)17(21)24-20(14)18(22)19-11-6-3-7-12-19/h2,4-5,8-9H,3,6-7,10-13H2,1H3
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM383892
PNG
(US10280150, Cmpd No I-175 | US10550099, Compound I...)
Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)c(OC(C)C)cc3[nH]c2=O)ncc1C#N |r|
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Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...


J Med Chem 62: 6575-6596 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00362
BindingDB Entry DOI: 10.7270/Q2VD72TR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM50503280
PNG
(CHEMBL4469055 | US11311527, Cpd ID I-26 | US113762...)
Show SMILES C[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)c(O[C@H](C)c3ccccn3)cc2[nH]c1=O |r|
Show InChI InChI=1S/C25H22ClN5O3/c1-14(29-21-8-7-17(13-27)31(3)25(21)33)18-10-16-11-19(26)23(12-22(16)30-24(18)32)34-15(2)20-6-4-5-9-28-20/h4-12,14-15,29H,1-3H3,(H,30,32)/t14-,15+/m0/s1
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FORMA Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Myc-DDK-tagged IDH1 R132C mutant using alpha-ketoglutarate as substrate preincubated for 15 mins followed by substrat...


J Med Chem 63: 1612-1623 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01423
BindingDB Entry DOI: 10.7270/Q2J106F7
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147267
PNG
(4-Cyclohexyl-3-methyl-2-(4-methyl-piperidine-1-car...)
Show SMILES CC1CCN(CC1)C(=O)n1oc(=O)c(C2CCCCC2)c1C
Show InChI InChI=1S/C17H26N2O3/c1-12-8-10-18(11-9-12)17(21)19-13(2)15(16(20)22-19)14-6-4-3-5-7-14/h12,14H,3-11H2,1-2H3
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147245
PNG
(4-Isobutyl-3-methyl-2-(4-phenyl-piperidine-1-carbo...)
Show SMILES CC(C)Cc1c(C)n(oc1=O)C(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C20H26N2O3/c1-14(2)13-18-15(3)22(25-19(18)23)20(24)21-11-9-17(10-12-21)16-7-5-4-6-8-16/h4-8,14,17H,9-13H2,1-3H3
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM383860
PNG
(US10280150, Cmpd No I-143 | US10550099, Compound I...)
Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ncc(C#N)c(OC)n1 |r|
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Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Myc-DDK-tagged IDH1 R132C mutant expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire hi...


J Med Chem 62: 6575-6596 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00362
BindingDB Entry DOI: 10.7270/Q2VD72TR
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147272
PNG
(4-(2-Methoxy-ethyl)-3-methyl-2-(4-m-tolyl-piperidi...)
Show SMILES COCCc1c(C)n(oc1=O)C(=O)N1CCC(CC1)c1cccc(C)c1
Show InChI InChI=1S/C20H26N2O4/c1-14-5-4-6-17(13-14)16-7-10-21(11-8-16)20(24)22-15(2)18(9-12-25-3)19(23)26-22/h4-6,13,16H,7-12H2,1-3H3
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147241
PNG
(4-Isopropyl-3-methyl-5-oxo-5H-isoxazole-2-carboxyl...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N(C)Cc1ccco1
Show InChI InChI=1S/C14H18N2O4/c1-9(2)12-10(3)16(20-13(12)17)14(18)15(4)8-11-6-5-7-19-11/h5-7,9H,8H2,1-4H3
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147248
PNG
(4-(2-Methoxy-ethyl)-3-methyl-2-(4-phenyl-piperidin...)
Show SMILES COCCc1c(C)n(oc1=O)C(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C19H24N2O4/c1-14-17(10-13-24-2)18(22)25-21(14)19(23)20-11-8-16(9-12-20)15-6-4-3-5-7-15/h3-7,16H,8-13H2,1-2H3
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147298
PNG
(4-Isopropyl-3-methyl-5-oxo-5H-isoxazole-2-carboxyl...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N(C)Cc1cccc(F)c1
Show InChI InChI=1S/C16H19FN2O3/c1-10(2)14-11(3)19(22-15(14)20)16(21)18(4)9-12-6-5-7-13(17)8-12/h5-8,10H,9H2,1-4H3
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147289
PNG
(4-Isobutyl-3-methyl-2-(piperidine-1-carbonyl)-2H-i...)
Show SMILES CC(C)Cc1c(C)n(oc1=O)C(=O)N1CCCCC1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)9-12-11(3)16(19-13(12)17)14(18)15-7-5-4-6-8-15/h10H,4-9H2,1-3H3
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147260
PNG
(4-Isopropyl-3-methyl-5-oxo-5H-isoxazole-2-carboxyl...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C16H20N2O3/c1-11(2)14-12(3)18(21-15(14)19)16(20)17(4)10-13-8-6-5-7-9-13/h5-9,11H,10H2,1-4H3
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM383860
PNG
(US10280150, Cmpd No I-143 | US10550099, Compound I...)
Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ncc(C#N)c(OC)n1 |r|
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Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Myc-DDK-tagged IDH1 R132L mutant expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire hi...


J Med Chem 62: 6575-6596 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00362
BindingDB Entry DOI: 10.7270/Q2VD72TR
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147303
PNG
(4-Benzyl-3-methyl-2-(piperidine-1-carbonyl)-2H-iso...)
Show SMILES Cc1c(Cc2ccccc2)c(=O)on1C(=O)N1CCCCC1
Show InChI InChI=1S/C17H20N2O3/c1-13-15(12-14-8-4-2-5-9-14)16(20)22-19(13)17(21)18-10-6-3-7-11-18/h2,4-5,8-9H,3,6-7,10-12H2,1H3
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147244
PNG
(1-(4-Isopropyl-3-methyl-5-oxo-5H-isoxazole-2-carbo...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)n1oc(=O)c(C(C)C)c1C
Show InChI InChI=1S/C16H24N2O5/c1-5-22-14(19)12-6-8-17(9-7-12)16(21)18-11(4)13(10(2)3)15(20)23-18/h10,12H,5-9H2,1-4H3
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM377646
PNG
(4-({[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1,2- |...)
Show SMILES COc1cc(NCc2cc3cc(Cl)c(OCc4ccccn4)cc3[nH]c2=O)ccc1C#N
Show InChI InChI=1S/C24H19ClN4O3/c1-31-22-10-18(6-5-15(22)12-26)28-13-17-8-16-9-20(25)23(11-21(16)29-24(17)30)32-14-19-4-2-3-7-27-19/h2-11,28H,13-14H2,1H3,(H,29,30)
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Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...


J Med Chem 62: 6575-6596 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00362
BindingDB Entry DOI: 10.7270/Q2VD72TR
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147300
PNG
(4-(4-Chloro-phenylsulfanyl)-3-methyl-2-(piperidine...)
Show SMILES Cc1c(Sc2ccc(Cl)cc2)c(=O)on1C(=O)N1CCCCC1
Show InChI InChI=1S/C16H17ClN2O3S/c1-11-14(23-13-7-5-12(17)6-8-13)15(20)22-19(11)16(21)18-9-3-2-4-10-18/h5-8H,2-4,9-10H2,1H3
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147283
PNG
(4-Isopropyl-3-methyl-2-(4-methyl-piperidine-1-carb...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C14H22N2O3/c1-9(2)12-11(4)16(19-13(12)17)14(18)15-7-5-10(3)6-8-15/h9-10H,5-8H2,1-4H3
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147280
PNG
(3-Methyl-2-(4-methyl-piperidine-1-carbonyl)-4-(tet...)
Show SMILES CC1CCN(CC1)C(=O)n1oc(=O)c(C2CCSCC2)c1C
Show InChI InChI=1S/C16H24N2O3S/c1-11-3-7-17(8-4-11)16(20)18-12(2)14(15(19)21-18)13-5-9-22-10-6-13/h11,13H,3-10H2,1-2H3
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147282
PNG
(3-Methyl-4-phenylsulfanyl-2-(piperidine-1-carbonyl...)
Show SMILES Cc1c(Sc2ccccc2)c(=O)on1C(=O)N1CCCCC1
Show InChI InChI=1S/C16H18N2O3S/c1-12-14(22-13-8-4-2-5-9-13)15(19)21-18(12)16(20)17-10-6-3-7-11-17/h2,4-5,8-9H,3,6-7,10-11H2,1H3
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM50503263
PNG
(CHEMBL4464313 | US11311527, Cpd ID I-23 | US113762...)
Show SMILES C[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]c1=O |r|
Show InChI InChI=1S/C24H20ClN5O3/c1-14(28-20-7-6-17(12-26)30(2)24(20)32)18-9-15-10-19(25)22(11-21(15)29-23(18)31)33-13-16-5-3-4-8-27-16/h3-11,14,28H,13H2,1-2H3,(H,29,31)/t14-/m0/s1
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FORMA Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of IDH1 R132C mutant in human HCT116 cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometr...


J Med Chem 63: 1612-1623 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01423
BindingDB Entry DOI: 10.7270/Q2J106F7
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM50506474
PNG
(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)
Show SMILES C[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)ccc2[nH]c1=O |r|
Show InChI InChI=1S/C18H15ClN4O2/c1-10(21-16-6-4-13(9-20)23(2)18(16)25)14-8-11-7-12(19)3-5-15(11)22-17(14)24/h3-8,10,21H,1-2H3,(H,22,24)/t10-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



FORMA Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Myc-DDK-tagged IDH1 R132G mutant expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by rapidfire hi...


J Med Chem 63: 1612-1623 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01423
BindingDB Entry DOI: 10.7270/Q2J106F7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147234
PNG
(4-Isopropyl-3-methyl-2-(4-phenyl-piperazine-1-carb...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C18H23N3O3/c1-13(2)16-14(3)21(24-17(16)22)18(23)20-11-9-19(10-12-20)15-7-5-4-6-8-15/h4-8,13H,9-12H2,1-3H3
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n/an/a 6n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147276
PNG
(4-Cyclopentyl-3-methyl-2-(piperidine-1-carbonyl)-2...)
Show SMILES Cc1c(C2CCCC2)c(=O)on1C(=O)N1CCCCC1
Show InChI InChI=1S/C15H22N2O3/c1-11-13(12-7-3-4-8-12)14(18)20-17(11)15(19)16-9-5-2-6-10-16/h12H,2-10H2,1H3
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147296
PNG
(4-Butyl-3-methyl-2-(piperidine-1-carbonyl)-2H-isox...)
Show SMILES CCCCc1c(C)n(oc1=O)C(=O)N1CCCCC1
Show InChI InChI=1S/C14H22N2O3/c1-3-4-8-12-11(2)16(19-13(12)17)14(18)15-9-6-5-7-10-15/h3-10H2,1-2H3
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147271
PNG
(4-Isopropyl-3-methyl-5-oxo-5H-isoxazole-2-carboxyl...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N(C)c1ccccc1
Show InChI InChI=1S/C15H18N2O3/c1-10(2)13-11(3)17(20-14(13)18)15(19)16(4)12-8-6-5-7-9-12/h5-10H,1-4H3
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM50147269
PNG
(2-(3,3-Dimethyl-piperidine-1-carbonyl)-4-isopropyl...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCCC(C)(C)C1
Show InChI InChI=1S/C15H24N2O3/c1-10(2)12-11(3)17(20-13(12)18)14(19)16-8-6-7-15(4,5)9-16/h10H,6-9H2,1-5H3
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM377574
PNG
(4-{[(1S)-1-(6-chloro-2-oxo- | US10266495, Compound...)
Show SMILES COc1cc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N |r|
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n/an/a 7n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of IDH1 R132H mutant in human HCT116 cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometr...


J Med Chem 62: 6575-6596 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00362
BindingDB Entry DOI: 10.7270/Q2VD72TR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM50503280
PNG
(CHEMBL4469055 | US11311527, Cpd ID I-26 | US113762...)
Show SMILES C[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)c(O[C@H](C)c3ccccn3)cc2[nH]c1=O |r|
Show InChI InChI=1S/C25H22ClN5O3/c1-14(29-21-8-7-17(13-27)31(3)25(21)33)18-10-16-11-19(26)23(12-22(16)30-24(18)32)34-15(2)20-6-4-5-9-28-20/h4-12,14-15,29H,1-3H3,(H,30,32)/t14-,15+/m0/s1
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FORMA Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Myc-DDK-tagged IDH1 R132H mutant using alpha-ketoglutarate as substrate preincubated for 15 mins followed by substrat...


J Med Chem 63: 1612-1623 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01423
BindingDB Entry DOI: 10.7270/Q2J106F7
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM50503260
PNG
(CHEMBL4456610 | US11311527, Cpd ID I-27 | US113762...)
Show SMILES C[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)c(OCC3CC3)cc2[nH]c1=O |r|
Show InChI InChI=1S/C22H21ClN4O3/c1-12(25-18-6-5-15(10-24)27(2)22(18)29)16-7-14-8-17(23)20(30-11-13-3-4-13)9-19(14)26-21(16)28/h5-9,12-13,25H,3-4,11H2,1-2H3,(H,26,28)/t12-/m0/s1
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FORMA Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Myc-DDK-tagged IDH1 R132H mutant using alpha-ketoglutarate as substrate preincubated for 15 mins followed by substrat...


J Med Chem 63: 1612-1623 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01423
BindingDB Entry DOI: 10.7270/Q2J106F7
More data for this
Ligand-Target Pair
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