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Found 21 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)(R132C)' AND taxid = 9606   
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
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)(R132C)


(Homo sapiens (Human))
BDBM317532
PNG
(6-chloro-3-[(1S)-1-({1-methyl-2-oxo-1H,2H,4H-pyrim...)
Show SMILES C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C18H16ClN5O3/c1-9(13-6-10-5-12(19)3-4-14(10)22-16(13)25)21-17-20-7-11-8-27-18(26)24(2)15(11)23-17/h3-7,9H,8H2,1-2H3,(H,22,25)(H,20,21,23)/t9-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



FORMA THERAPEUTICS, INC.

US Patent




US Patent US9624175 (2017)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)(R132C)


(Homo sapiens (Human))
BDBM317539
PNG
(6-chloro-3-[(1S)-1-{[3-(2-methylpropyl)-2-oxo-2H,3...)
Show SMILES CC(C)Cn1c2nc(N[C@@H](C)c3cc4cc(Cl)ccc4[nH]c3=O)ncc2oc1=O
Show InChI InChI=1S/C20H20ClN5O3/c1-10(2)9-26-17-16(29-20(26)28)8-22-19(25-17)23-11(3)14-7-12-6-13(21)4-5-15(12)24-18(14)27/h4-8,10-11H,9H2,1-3H3,(H,24,27)(H,22,23,25)/t11-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



FORMA THERAPEUTICS, INC.

US Patent




US Patent US9624175 (2017)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)(R132C)


(Homo sapiens (Human))
BDBM317536
PNG
(6-chloro-7-methoxy-3-[(1S)-1-({1-methyl-2-oxo-1H,2...)
Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ncc2COC(=O)N(C)c2n1
Show InChI InChI=1S/C19H18ClN5O4/c1-9(22-18-21-7-11-8-29-19(27)25(2)16(11)24-18)12-4-10-5-13(20)15(28-3)6-14(10)23-17(12)26/h4-7,9H,8H2,1-3H3,(H,23,26)(H,21,22,24)/t9-/m0/s1
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FORMA THERAPEUTICS, INC.

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US Patent US9624175 (2017)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)(R132C)


(Homo sapiens (Human))
BDBM317535
PNG
(6-chloro-7-methoxy-3-[1-({1-methyl-2-oxo-1H,2H,4H-...)
Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)C(C)Nc1ncc2COC(=O)N(C)c2n1
Show InChI InChI=1S/C19H18ClN5O4/c1-9(22-18-21-7-11-8-29-19(27)25(2)16(11)24-18)12-4-10-5-13(20)15(28-3)6-14(10)23-17(12)26/h4-7,9H,8H2,1-3H3,(H,23,26)(H,21,22,24)
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FORMA THERAPEUTICS, INC.

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US Patent US9624175 (2017)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)(R132C)


(Homo sapiens (Human))
BDBM317533
PNG
(6-chloro-3-[(1S)-1-({1-methyl-2-oxo-1H,2H,4H-pyrim...)
Show SMILES C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]c1=O
Show InChI InChI=1S/C24H21ClN6O4/c1-13(28-23-27-10-15-11-35-24(33)31(2)21(15)30-23)17-7-14-8-18(25)20(9-19(14)29-22(17)32)34-12-16-5-3-4-6-26-16/h3-10,13H,11-12H2,1-2H3,(H,29,32)(H,27,28,30)/t13-/m0/s1
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FORMA THERAPEUTICS, INC.

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US Patent US9624175 (2017)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)(R132C)


(Homo sapiens (Human))
BDBM317531
PNG
(6-chloro-3-[(1S)-1-{[1-(2-methylpropyl)-2-oxo-1H,2...)
Show SMILES CC(C)CN1C(=O)OCc2cnc(N[C@@H](C)c3cc4cc(Cl)ccc4[nH]c3=O)nc12
Show InChI InChI=1S/C21H22ClN5O3/c1-11(2)9-27-18-14(10-30-21(27)29)8-23-20(26-18)24-12(3)16-7-13-6-15(22)4-5-17(13)25-19(16)28/h4-8,11-12H,9-10H2,1-3H3,(H,25,28)(H,23,24,26)/t12-/m0/s1
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FORMA THERAPEUTICS, INC.

US Patent




US Patent US9624175 (2017)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)(R132C)


(Homo sapiens (Human))
BDBM317486
PNG
(3-{[(1,3-benzoxazol-4-yl)amino]methyl}-6-chloro-1,...)
Show SMILES Clc1ccc2[nH]c(=O)c(CNc3cccc4ocnc34)cc2c1
Show InChI InChI=1S/C17H12ClN3O2/c18-12-4-5-13-10(7-12)6-11(17(22)21-13)8-19-14-2-1-3-15-16(14)20-9-23-15/h1-7,9,19H,8H2,(H,21,22)
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US Patent US9624175 (2017)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)(R132C)


(Homo sapiens (Human))
BDBM317545
PNG
(6-chloro-3-[(1S)-1-({7-methyl-6-oxo-5H,6H,7H-pyrro...)
Show SMILES C[C@H](Nc1ncc2CC(=O)N(C)c2n1)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C18H16ClN5O2/c1-9(13-6-10-5-12(19)3-4-14(10)22-17(13)26)21-18-20-8-11-7-15(25)24(2)16(11)23-18/h3-6,8-9H,7H2,1-2H3,(H,22,26)(H,20,21,23)/t9-/m0/s1
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US Patent US9624175 (2017)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)(R132C)


(Homo sapiens (Human))
BDBM317541
PNG
(6-chloro-3-[(1S)-1-({3-methyl-2-oxo-2H,3H-[1,3]oxa...)
Show SMILES C[C@H](Nc1ncc2oc(=O)n(C)c2n1)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C17H14ClN5O3/c1-8(11-6-9-5-10(18)3-4-12(9)21-15(11)24)20-16-19-7-13-14(22-16)23(2)17(25)26-13/h3-8H,1-2H3,(H,21,24)(H,19,20,22)/t8-/m0/s1
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US Patent US9624175 (2017)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)(R132C)


(Homo sapiens (Human))
BDBM317540
PNG
(6-chloro-3-[(1S)-1-({2-oxo-2H,3H-[1,3]oxazolo[4,5-...)
Show SMILES C[C@H](Nc1ncc2oc(=O)[nH]c2n1)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C16H12ClN5O3/c1-7(19-15-18-6-12-13(21-15)22-16(24)25-12)10-5-8-4-9(17)2-3-11(8)20-14(10)23/h2-7H,1H3,(H,20,23)(H2,18,19,21,22,24)/t7-/m0/s1
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US Patent US9624175 (2017)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)(R132C)


(Homo sapiens (Human))
BDBM317534
PNG
(6-chloro-3-[(1S)-1-({2-oxo-1H,2H,4H-pyrimido[4,5-d...)
Show SMILES C[C@H](Nc1ncc2COC(=O)Nc2n1)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C17H14ClN5O3/c1-8(12-5-9-4-11(18)2-3-13(9)21-15(12)24)20-16-19-6-10-7-26-17(25)23-14(10)22-16/h2-6,8H,7H2,1H3,(H,21,24)(H2,19,20,22,23,25)/t8-/m0/s1
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US Patent US9624175 (2017)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)(R132C)


(Homo sapiens (Human))
BDBM317537
PNG
(6-chloro-7-methoxy-3-[(1R)-1-({1-methyl-2-oxo-1H,2...)
Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@@H](C)Nc1ncc2COC(=O)N(C)c2n1
Show InChI InChI=1S/C19H18ClN5O4/c1-9(22-18-21-7-11-8-29-19(27)25(2)16(11)24-18)12-4-10-5-13(20)15(28-3)6-14(10)23-17(12)26/h4-7,9H,8H2,1-3H3,(H,23,26)(H,21,22,24)/t9-/m1/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



FORMA THERAPEUTICS, INC.

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US Patent US9624175 (2017)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)(R132C)


(Homo sapiens (Human))
BDBM317546
PNG
(6-chloro-3-[(1S)-1-({7-oxo-5H,6H,7H,8H-pyrido[2,3-...)
Show SMILES C[C@H](Nc1ncc2CCC(=O)Nc2n1)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C18H16ClN5O2/c1-9(13-7-11-6-12(19)3-4-14(11)22-17(13)26)21-18-20-8-10-2-5-15(25)23-16(10)24-18/h3-4,6-9H,2,5H2,1H3,(H,22,26)(H2,20,21,23,24,25)/t9-/m0/s1
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FORMA THERAPEUTICS, INC.

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US Patent US9624175 (2017)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)(R132C)


(Homo sapiens (Human))
BDBM317543
PNG
(6-chloro-3-[(1S)-1-[(8-oxo-8,9-dihydro-7H-purin-2-...)
Show SMILES C[C@H](Nc1ncc2[nH]c(=O)[nH]c2n1)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C16H13ClN6O2/c1-7(19-15-18-6-12-13(22-15)23-16(25)21-12)10-5-8-4-9(17)2-3-11(8)20-14(10)24/h2-7H,1H3,(H,20,24)(H3,18,19,21,22,23,25)/t7-/m0/s1
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FORMA THERAPEUTICS, INC.

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US Patent US9624175 (2017)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)(R132C)


(Homo sapiens (Human))
BDBM317527
PNG
(3-[(1S)-1-({1-acetyl-1H,2H,3H-pyrrolo[3,2-c]pyridi...)
Show SMILES C[C@H](Nc1nccc2N(CCc12)C(C)=O)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C20H19ClN4O2/c1-11(16-10-13-9-14(21)3-4-17(13)24-20(16)27)23-19-15-6-8-25(12(2)26)18(15)5-7-22-19/h3-5,7,9-11H,6,8H2,1-2H3,(H,22,23)(H,24,27)/t11-/m0/s1
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FORMA THERAPEUTICS, INC.

US Patent




US Patent US9624175 (2017)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)(R132C)


(Homo sapiens (Human))
BDBM317544
PNG
(6-chloro-3-[(1S)-1-({6-oxo-5H,6H,7H-pyrrolo[2,3-d]...)
Show SMILES C[C@H](Nc1ncc2CC(=O)Nc2n1)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C17H14ClN5O2/c1-8(20-17-19-7-10-6-14(24)22-15(10)23-17)12-5-9-4-11(18)2-3-13(9)21-16(12)25/h2-5,7-8H,6H2,1H3,(H,21,25)(H2,19,20,22,23,24)/t8-/m0/s1
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FORMA THERAPEUTICS, INC.

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US Patent US9624175 (2017)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)(R132C)


(Homo sapiens (Human))
BDBM317530
PNG
(6-chloro-3-[(1S)-1-({1H-pyrazolo[3,4-d]pyrimidin-6...)
Show SMILES C[C@H](Nc1ncc2cn[nH]c2n1)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C16H13ClN6O/c1-8(20-16-18-6-10-7-19-23-14(10)22-16)12-5-9-4-11(17)2-3-13(9)21-15(12)24/h2-8H,1H3,(H,21,24)(H2,18,19,20,22,23)/t8-/m0/s1
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FORMA THERAPEUTICS, INC.

US Patent




US Patent US9624175 (2017)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)(R132C)


(Homo sapiens (Human))
BDBM317542
PNG
(6-chloro-3-[(1S)-1-[(9-methyl-8-oxo-8,9-dihydro-7H...)
Show SMILES C[C@H](Nc1ncc2[nH]c(=O)n(C)c2n1)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C17H15ClN6O2/c1-8(11-6-9-5-10(18)3-4-12(9)21-15(11)25)20-16-19-7-13-14(23-16)24(2)17(26)22-13/h3-8H,1-2H3,(H,21,25)(H,22,26)(H,19,20,23)/t8-/m0/s1
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US Patent US9624175 (2017)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)(R132C)


(Homo sapiens (Human))
BDBM317529
PNG
(3-[(1S)-1-({1-acetyl-1H,2H,3H-pyrido[3,4-b][1,4]ox...)
Show SMILES C[C@H](Nc1nccc2N(CCOc12)C(C)=O)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C20H19ClN4O3/c1-11(15-10-13-9-14(21)3-4-16(13)24-20(15)27)23-19-18-17(5-6-22-19)25(12(2)26)7-8-28-18/h3-6,9-11H,7-8H2,1-2H3,(H,22,23)(H,24,27)/t11-/m0/s1
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US Patent US9624175 (2017)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)(R132C)


(Homo sapiens (Human))
BDBM317489
PNG
(6-chloro-3-{[(2-oxo-2H-chromen-6-yl)amino]methyl}-...)
Show SMILES Clc1ccc2[nH]c(=O)c(CNc3ccc4oc(=O)ccc4c3)cc2c1
Show InChI InChI=1S/C19H13ClN2O3/c20-14-2-4-16-12(8-14)7-13(19(24)22-16)10-21-15-3-5-17-11(9-15)1-6-18(23)25-17/h1-9,21H,10H2,(H,22,24)
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US Patent US9624175 (2017)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)(R132C)


(Homo sapiens (Human))
BDBM317538
PNG
(6-chloro-7-fluoro-3-[(1R)-1-({1-methyl-2-oxo-1H,2H...)
Show SMILES C[C@@H](Nc1ncc2COC(=O)N(C)c2n1)c1cc2cc(Cl)c(F)cc2[nH]c1=O
Show InChI InChI=1S/C18H15ClFN5O3/c1-8(11-3-9-4-12(19)13(20)5-14(9)23-16(11)26)22-17-21-6-10-7-28-18(27)25(2)15(10)24-17/h3-6,8H,7H2,1-2H3,(H,23,26)(H,21,22,24)/t8-/m1/s1
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US Patent US9624175 (2017)

More data for this
Ligand-Target Pair