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Patent code US10280150

Compile Data Set for Download or QSAR

Found 297 hits of Enzyme Inhibition Constant Data   
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
IDH1 R132H


(Homo sapiens (Human))
BDBM383879
PNG
(US10280150, Cmpd No I-162)
Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)c(Br)cc3[nH]c2=O)ncc1C#N
Show InChI InChI=1/C17H13BrClN5O2/c1-8(22-17-21-7-10(6-20)16(24-17)26-2)11-3-9-4-13(19)12(18)5-14(9)23-15(11)25/h3-5,7-8H,1-2H3,(H,23,25)(H,21,22,24)/t8-/s2
PDB

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US Patent
n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM383890
PNG
(US10280150, Cmpd No I-173)
Show SMILES CC(C)n1cncc1-c1ccnc(N[C@@H](C)c2cc3cc(Cl)ccc3n(C)c2=O)n1
Show InChI InChI=1S/C22H23ClN6O/c1-13(2)29-12-24-11-20(29)18-7-8-25-22(27-18)26-14(3)17-10-15-9-16(23)5-6-19(15)28(4)21(17)30/h5-14H,1-4H3,(H,25,26,27)/t14-/m0/s1
PDB

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US Patent
n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM383892
PNG
(US10280150, Cmpd No I-175)
Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)c(OC(C)C)cc3[nH]c2=O)ncc1C#N
Show InChI InChI=1/C20H20ClN5O3/c1-10(2)29-17-7-16-12(6-15(17)21)5-14(18(27)25-16)11(3)24-20-23-9-13(8-22)19(26-20)28-4/h5-7,9-11H,1-4H3,(H,25,27)(H,23,24,26)/t11-/s2
PDB

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US Patent
n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383893
PNG
(US10280150, Cmpd No I-176)
Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)c(cc3[nH]c2=O)C2CC2)ncc1C#N
Show InChI InChI=1/C20H18ClN5O2/c1-10(24-20-23-9-13(8-22)19(26-20)28-2)14-5-12-6-16(21)15(11-3-4-11)7-17(12)25-18(14)27/h5-7,9-11H,3-4H2,1-2H3,(H,25,27)(H,23,24,26)/t10-/s2
PDB

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US Patent
n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM383896
PNG
(US10280150, Cmpd No I-179)
Show SMILES C[C@H](Nc1nccc(NC(C)=O)n1)c1cc2cc(Cl)c(F)cc2[nH]c1=O
Show InChI InChI=1/C17H15ClFN5O2/c1-8(21-17-20-4-3-15(24-17)22-9(2)25)11-5-10-6-12(18)13(19)7-14(10)23-16(11)26/h3-8H,1-2H3,(H,23,26)(H2,20,21,22,24,25)/t8-/s2
PDB

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US Patent
n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383899
PNG
(US10280150, Cmpd No I-182)
Show SMILES C[C@H](Nc1nccc(NC(C)=O)n1)c1cc2cc(Cl)cnc2[nH]c1=O
Show InChI InChI=1/C16H15ClN6O2/c1-8(20-16-18-4-3-13(22-16)21-9(2)24)12-6-10-5-11(17)7-19-14(10)23-15(12)25/h3-8H,1-2H3,(H,19,23,25)(H2,18,20,21,22,24)/t8-/s2
PDB

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US Patent
n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM383900
PNG
(US10280150, Cmpd No I-183)
Show SMILES C[C@H](Nc1nccc(n1)-n1nnnc1C1CC1)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1/C19H17ClN8O/c1-10(14-9-12-8-13(20)4-5-15(12)23-18(14)29)22-19-21-7-6-16(24-19)28-17(11-2-3-11)25-26-27-28/h4-11H,2-3H2,1H3,(H,23,29)(H,21,22,24)/t10-/s2
PDB

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US Patent
n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383728
PNG
(US10280150, Cmpd No I-11)
Show SMILES CC(C)N(c1ccnc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)n1)S(=O)(=O)CC1CC1
Show InChI InChI=1/C22H26ClN5O3S/c1-13(2)28(32(30,31)12-15-4-5-15)20-8-9-24-22(27-20)25-14(3)18-11-16-10-17(23)6-7-19(16)26-21(18)29/h6-11,13-15H,4-5,12H2,1-3H3,(H,26,29)(H,24,25,27)/t14-/s2
PDB

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US Patent
n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383739
PNG
(US10280150, Cmpd No I-22)
Show SMILES COC(=O)Nc1ccnc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)n1
Show InChI InChI=1/C17H16ClN5O3/c1-9(20-16-19-6-5-14(22-16)23-17(25)26-2)12-8-10-7-11(18)3-4-13(10)21-15(12)24/h3-9H,1-2H3,(H,21,24)(H2,19,20,22,23,25)/t9-/s2
PDB

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US Patent
n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383746
PNG
(US10280150, Cmpd No I-29)
Show SMILES C[C@H](Nc1nccc(NC(=O)C2CC2)n1)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1/C19H18ClN5O2/c1-10(14-9-12-8-13(20)4-5-15(12)23-18(14)27)22-19-21-7-6-16(25-19)24-17(26)11-2-3-11/h4-11H,2-3H2,1H3,(H,23,27)(H2,21,22,24,25,26)/t10-/s2
PDB

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n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383750
PNG
(US10280150, Cmpd No I-33)
Show SMILES CCC(=O)Nc1ccnc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)n1
Show InChI InChI=1/C18H18ClN5O2/c1-3-16(25)23-15-6-7-20-18(24-15)21-10(2)13-9-11-8-12(19)4-5-14(11)22-17(13)26/h4-10H,3H2,1-2H3,(H,22,26)(H2,20,21,23,24,25)/t10-/s2
PDB

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n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383765
PNG
(US10280150, Cmpd No I-48)
Show SMILES CC(Nc1nccc(n1)N1CCOC1=O)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1/C18H16ClN5O3/c1-10(13-9-11-8-12(19)2-3-14(11)22-16(13)25)21-17-20-5-4-15(23-17)24-6-7-27-18(24)26/h2-5,8-10H,6-7H2,1H3,(H,22,25)(H,20,21,23)
PDB

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US Patent
n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383781
PNG
(US10280150, Cmpd No I-64)
Show SMILES CC(C)n1cncc1-c1ccnc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)n1
Show InChI InChI=1/C21H21ClN6O/c1-12(2)28-11-23-10-19(28)18-6-7-24-21(27-18)25-13(3)16-9-14-8-15(22)4-5-17(14)26-20(16)29/h4-13H,1-3H3,(H,26,29)(H,24,25,27)/t13-/s2
PDB

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US Patent
n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383798
PNG
(US10280150, Cmpd No I-81)
Show SMILES C[C@H](Nc1nccc(n1)-c1cccn1C)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1/C20H18ClN5O/c1-12(15-11-13-10-14(21)5-6-16(13)24-19(15)27)23-20-22-8-7-17(25-20)18-4-3-9-26(18)2/h3-12H,1-2H3,(H,24,27)(H,22,23,25)/t12-/s2
PDB

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n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383818
PNG
(US10280150, Cmpd No I-101)
Show SMILES C[C@H](Nc1nccc(n1)-c1ccccc1)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1/C21H17ClN4O/c1-13(17-12-15-11-16(22)7-8-18(15)25-20(17)27)24-21-23-10-9-19(26-21)14-5-3-2-4-6-14/h2-13H,1H3,(H,25,27)(H,23,24,26)/t13-/s2
PDB

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n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383828
PNG
(US10280150, Cmpd No I-111)
Show SMILES C[C@H](Nc1nccc(n1)S(C)=O)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1/C16H15ClN4O2S/c1-9(19-16-18-6-5-14(21-16)24(2)23)12-8-10-7-11(17)3-4-13(10)20-15(12)22/h3-9H,1-2H3,(H,20,22)(H,18,19,21)/t9-,24?/s2
PDB

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n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383831
PNG
(US10280150, Cmpd No I-114)
Show SMILES C[C@H](Nc1nccc(n1)C(N)=O)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1/C16H14ClN5O2/c1-8(20-16-19-5-4-13(22-16)14(18)23)11-7-9-6-10(17)2-3-12(9)21-15(11)24/h2-8H,1H3,(H2,18,23)(H,21,24)(H,19,20,22)/t8-/s2
PDB

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US Patent
n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM383860
PNG
(US10280150, Cmpd No I-143)
Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ncc(C#N)c(OC)n1
Show InChI InChI=1/C18H16ClN5O3/c1-9(22-18-21-8-11(7-20)17(24-18)27-3)12-4-10-5-13(19)15(26-2)6-14(10)23-16(12)25/h4-6,8-9H,1-3H3,(H,23,25)(H,21,22,24)/t9-/s2
PDB

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n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM383866
PNG
(US10280150, Cmpd No I-149)
Show SMILES CC(Nc1nccc(NC(C)=O)n1)c1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]c1=O
Show InChI InChI=1/C23H21ClN6O3/c1-13(27-23-26-8-6-21(30-23)28-14(2)31)17-9-15-10-18(24)20(11-19(15)29-22(17)32)33-12-16-5-3-4-7-25-16/h3-11,13H,12H2,1-2H3,(H,29,32)(H2,26,27,28,30,31)
PDB

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n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM383876
PNG
(US10280150, Cmpd No I-159)
Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)c(OCC4CC4)cc3[nH]c2=O)ncc1C#N
Show InChI InChI=1/C21H20ClN5O3/c1-11(25-21-24-9-14(8-23)20(27-21)29-2)15-5-13-6-16(22)18(30-10-12-3-4-12)7-17(13)26-19(15)28/h5-7,9,11-12H,3-4,10H2,1-2H3,(H,26,28)(H,24,25,27)/t11-/s2
PDB

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n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383877
PNG
(US10280150, Cmpd No I-160)
Show SMILES C[C@H](Nc1nccc(NC(C)=O)n1)c1cc2cc(Cl)cc(F)c2[nH]c1=O
Show InChI InChI=1/C17H15ClFN5O2/c1-8(21-17-20-4-3-14(23-17)22-9(2)25)12-6-10-5-11(18)7-13(19)15(10)24-16(12)26/h3-8H,1-2H3,(H,24,26)(H2,20,21,22,23,25)/t8-/s2
PDB

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US Patent
n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383895
PNG
(US10280150, Cmpd No I-178)
Show SMILES C[C@H](Nc1ncc(C#N)c(=O)[nH]1)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1/C16H12ClN5O2/c1-8(20-16-19-7-10(6-18)14(23)22-16)12-5-9-4-11(17)2-3-13(9)21-15(12)24/h2-5,7-8H,1H3,(H,21,24)(H2,19,20,22,23)/t8-/s2
PDB

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US Patent
n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383718
PNG
(US10280150, Cmpd No I-1)
Show SMILES C[C@H](Nc1nccc(n1)N(CC(C)(C)C)S(C)(=O)=O)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1/C21H26ClN5O3S/c1-13(16-11-14-10-15(22)6-7-17(14)25-19(16)28)24-20-23-9-8-18(26-20)27(31(5,29)30)12-21(2,3)4/h6-11,13H,12H2,1-5H3,(H,25,28)(H,23,24,26)/t13-/s2
PDB

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US Patent
n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM383750
PNG
(US10280150, Cmpd No I-33)
Show SMILES CCC(=O)Nc1ccnc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)n1
Show InChI InChI=1/C18H18ClN5O2/c1-3-16(25)23-15-6-7-20-18(24-15)21-10(2)13-9-11-8-12(19)4-5-14(11)22-17(13)26/h4-10H,3H2,1-2H3,(H,22,26)(H2,20,21,23,24,25)/t10-/s2
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n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383759
PNG
(US10280150, Cmpd No I-42)
Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)n1
Show InChI InChI=1/C21H22ClN5O3/c1-11(2)17-10-30-21(29)27(17)18-6-7-23-20(26-18)24-12(3)15-9-13-8-14(22)4-5-16(13)25-19(15)28/h4-9,11-12,17H,10H2,1-3H3,(H,25,28)(H,23,24,26)/t12-,17+/s2
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n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM383759
PNG
(US10280150, Cmpd No I-42)
Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)n1
Show InChI InChI=1/C21H22ClN5O3/c1-11(2)17-10-30-21(29)27(17)18-6-7-23-20(26-18)24-12(3)15-9-13-8-14(22)4-5-16(13)25-19(15)28/h4-9,11-12,17H,10H2,1-3H3,(H,25,28)(H,23,24,26)/t12-,17+/s2
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n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383770
PNG
(US10280150, Cmpd No I-53)
Show SMILES C[C@H](Nc1nccc(n1)-n1ccc(C)c1C)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1/C21H20ClN5O/c1-12-7-9-27(14(12)3)19-6-8-23-21(26-19)24-13(2)17-11-15-10-16(22)4-5-18(15)25-20(17)28/h4-11,13H,1-3H3,(H,25,28)(H,23,24,26)/t13-/s2
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n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383788
PNG
(US10280150, Cmpd No I-71)
Show SMILES C[C@H](Nc1nccc(n1)-c1cncn1C)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1/C19H17ClN6O/c1-11(14-8-12-7-13(20)3-4-15(12)24-18(14)27)23-19-22-6-5-16(25-19)17-9-21-10-26(17)2/h3-11H,1-2H3,(H,24,27)(H,22,23,25)/t11-/s2
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n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383797
PNG
(US10280150, Cmpd No I-80)
Show SMILES C[C@H](Nc1nccc(n1)-c1cscc1C)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1/C20H17ClN4OS/c1-11-9-27-10-16(11)18-5-6-22-20(25-18)23-12(2)15-8-13-7-14(21)3-4-17(13)24-19(15)26/h3-10,12H,1-2H3,(H,24,26)(H,22,23,25)/t12-/s2
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n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383813
PNG
(US10280150, Cmpd No I-96)
Show SMILES C[C@H](Nc1nccc(n1)-c1ccncc1C)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1/C21H18ClN5O/c1-12-11-23-7-5-16(12)19-6-8-24-21(27-19)25-13(2)17-10-14-9-15(22)3-4-18(14)26-20(17)28/h3-11,13H,1-2H3,(H,26,28)(H,24,25,27)/t13-/s2
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FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383855
PNG
(US10280150, Cmpd No I-138)
Show SMILES C[C@H](Nc1nccc(n1)N1CCCC1=O)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1/C19H18ClN5O2/c1-11(14-10-12-9-13(20)4-5-15(12)23-18(14)27)22-19-21-7-6-16(24-19)25-8-2-3-17(25)26/h4-7,9-11H,2-3,8H2,1H3,(H,23,27)(H,21,22,24)/t11-/s2
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FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM383871
PNG
(US10280150, Cmpd No I-154)
Show SMILES COC(=O)Nc1ccnc(N[C@@H](C)c2cc3cc(Cl)c(OCc4ccccn4)cc3[nH]c2=O)n1
Show InChI InChI=1/C23H21ClN6O4/c1-13(27-22-26-8-6-20(29-22)30-23(32)33-2)16-9-14-10-17(24)19(11-18(14)28-21(16)31)34-12-15-5-3-4-7-25-15/h3-11,13H,12H2,1-2H3,(H,28,31)(H2,26,27,29,30,32)/t13-/s2
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FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM383877
PNG
(US10280150, Cmpd No I-160)
Show SMILES C[C@H](Nc1nccc(NC(C)=O)n1)c1cc2cc(Cl)cc(F)c2[nH]c1=O
Show InChI InChI=1/C17H15ClFN5O2/c1-8(21-17-20-4-3-14(23-17)22-9(2)25)12-6-10-5-11(18)7-13(19)15(10)24-16(12)26/h3-8H,1-2H3,(H,24,26)(H2,20,21,22,23,25)/t8-/s2
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FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383892
PNG
(US10280150, Cmpd No I-175)
Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)c(OC(C)C)cc3[nH]c2=O)ncc1C#N
Show InChI InChI=1/C20H20ClN5O3/c1-10(2)29-17-7-16-12(6-15(17)21)5-14(18(27)25-16)11(3)24-20-23-9-13(8-22)19(26-20)28-4/h5-7,9-11H,1-4H3,(H,25,27)(H,23,24,26)/t11-/s2
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FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383896
PNG
(US10280150, Cmpd No I-179)
Show SMILES C[C@H](Nc1nccc(NC(C)=O)n1)c1cc2cc(Cl)c(F)cc2[nH]c1=O
Show InChI InChI=1/C17H15ClFN5O2/c1-8(21-17-20-4-3-15(24-17)22-9(2)25)11-5-10-6-12(18)13(19)7-14(10)23-16(11)26/h3-8H,1-2H3,(H,23,26)(H2,20,21,22,24,25)/t8-/s2
PDB

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n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383900
PNG
(US10280150, Cmpd No I-183)
Show SMILES C[C@H](Nc1nccc(n1)-n1nnnc1C1CC1)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1/C19H17ClN8O/c1-10(14-9-12-8-13(20)4-5-15(12)23-18(14)29)22-19-21-7-6-16(24-19)28-17(11-2-3-11)25-26-27-28/h4-11H,2-3H2,1H3,(H,23,29)(H,21,22,24)/t10-/s2
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n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383719
PNG
(US10280150, Cmpd No I-2)
Show SMILES C[C@H](Nc1nccc(n1)N(CC1CC1)S(C)(=O)=O)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1/C20H22ClN5O3S/c1-12(16-10-14-9-15(21)5-6-17(14)24-19(16)27)23-20-22-8-7-18(25-20)26(30(2,28)29)11-13-3-4-13/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,27)(H,22,23,25)/t12-/s2
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FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM383721
PNG
(US10280150, Cmpd No I-4)
Show SMILES CC(C)N(c1ccnc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)n1)S(=O)(=O)c1cccnc1
Show InChI InChI=1/C23H23ClN6O3S/c1-14(2)30(34(32,33)18-5-4-9-25-13-18)21-8-10-26-23(29-21)27-15(3)19-12-16-11-17(24)6-7-20(16)28-22(19)31/h4-15H,1-3H3,(H,28,31)(H,26,27,29)/t15-/s2
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FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383722
PNG
(US10280150, Cmpd No I-5)
Show SMILES CC(C)CS(=O)(=O)N(C(C)C)c1ccnc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)n1
Show InChI InChI=1/C22H28ClN5O3S/c1-13(2)12-32(30,31)28(14(3)4)20-8-9-24-22(27-20)25-15(5)18-11-16-10-17(23)6-7-19(16)26-21(18)29/h6-11,13-15H,12H2,1-5H3,(H,26,29)(H,24,25,27)/t15-/s2
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FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM383728
PNG
(US10280150, Cmpd No I-11)
Show SMILES CC(C)N(c1ccnc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)n1)S(=O)(=O)CC1CC1
Show InChI InChI=1/C22H26ClN5O3S/c1-13(2)28(32(30,31)12-15-4-5-15)20-8-9-24-22(27-20)25-14(3)18-11-16-10-17(23)6-7-19(16)26-21(18)29/h6-11,13-15H,4-5,12H2,1-3H3,(H,26,29)(H,24,25,27)/t14-/s2
PDB

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FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383742
PNG
(US10280150, Cmpd No I-25)
Show SMILES C[C@H](Nc1nccc(NC(C)=O)n1)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1/C17H16ClN5O2/c1-9(20-17-19-6-5-15(23-17)21-10(2)24)13-8-11-7-12(18)3-4-14(11)22-16(13)25/h3-9H,1-2H3,(H,22,25)(H2,19,20,21,23,24)/t9-/s2
PDB

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FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383756
PNG
(US10280150, Cmpd No I-39)
Show SMILES C[C@H](Nc1ncc(C#N)c(C)n1)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1/C17H14ClN5O/c1-9-12(7-19)8-20-17(21-9)22-10(2)14-6-11-5-13(18)3-4-15(11)23-16(14)24/h3-6,8,10H,1-2H3,(H,23,24)(H,20,21,22)/t10-/s2
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FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383757
PNG
(US10280150, Cmpd No I-40)
Show SMILES C[C@H](Nc1ncc(C#N)c(n1)C1CC1)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1/C19H16ClN5O/c1-10(15-7-12-6-14(20)4-5-16(12)24-18(15)26)23-19-22-9-13(8-21)17(25-19)11-2-3-11/h4-7,9-11H,2-3H2,1H3,(H,24,26)(H,22,23,25)/t10-/s2
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FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM383763
PNG
(US10280150, Cmpd No I-46)
Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(NCc2cc3cc(Cl)ccc3[nH]c2=O)n1
Show InChI InChI=1/C20H20ClN5O3/c1-11(2)16-10-29-20(28)26(16)17-5-6-22-19(25-17)23-9-13-7-12-8-14(21)3-4-15(12)24-18(13)27/h3-8,11,16H,9-10H2,1-2H3,(H,24,27)(H,22,23,25)/t16-/s2
PDB

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FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383768
PNG
(US10280150, Cmpd No I-51)
Show SMILES C[C@H](Nc1nccc(n1)-n1cccc1C)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1/C20H18ClN5O/c1-12-4-3-9-26(12)18-7-8-22-20(25-18)23-13(2)16-11-14-10-15(21)5-6-17(14)24-19(16)27/h3-11,13H,1-2H3,(H,24,27)(H,22,23,25)/t13-/s2
PDB

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n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383778
PNG
(US10280150, Cmpd No I-61)
Show SMILES C[C@H](Nc1nccc(n1)-c1cncn1CC1CC1)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1/C22H21ClN6O/c1-13(17-9-15-8-16(23)4-5-18(15)27-21(17)30)26-22-25-7-6-19(28-22)20-10-24-12-29(20)11-14-2-3-14/h4-10,12-14H,2-3,11H2,1H3,(H,27,30)(H,25,26,28)/t13-/s2
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n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM383780
PNG
(US10280150, Cmpd No I-63)
Show SMILES C[C@H](Nc1nccc(n1)-c1cnc2ccccn12)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1/C22H17ClN6O/c1-13(16-11-14-10-15(23)5-6-17(14)27-21(16)30)26-22-24-8-7-18(28-22)19-12-25-20-4-2-3-9-29(19)20/h2-13H,1H3,(H,27,30)(H,24,26,28)/t13-/s2
PDB

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US Patent
n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383796
PNG
(US10280150, Cmpd No I-79)
Show SMILES C[C@H](Nc1nccc(n1)-c1ccnn1C1CCCCO1)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1/C23H23ClN6O2/c1-14(17-13-15-12-16(24)5-6-18(15)28-22(17)31)27-23-25-9-7-19(29-23)20-8-10-26-30(20)21-4-2-3-11-32-21/h5-10,12-14,21H,2-4,11H2,1H3,(H,28,31)(H,25,27,29)/t14-,21?/s2
PDB

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US Patent
n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383805
PNG
(US10280150, Cmpd No I-88)
Show SMILES C[C@H](Nc1nccc(n1)-c1cnsc1)c1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1/C18H14ClN5OS/c1-10(14-7-11-6-13(19)2-3-15(11)23-17(14)25)22-18-20-5-4-16(24-18)12-8-21-26-9-12/h2-10H,1H3,(H,23,25)(H,20,22,24)/t10-/s2
PDB

GoogleScholar
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM383826
PNG
(US10280150, Cmpd No I-109)
Show SMILES CC(C)C[S@](=O)c1ccnc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)n1
Show InChI InChI=1/C19H21ClN4O2S/c1-11(2)10-27(26)17-6-7-21-19(24-17)22-12(3)15-9-13-8-14(20)4-5-16(13)23-18(15)25/h4-9,11-12H,10H2,1-3H3,(H,23,25)(H,21,22,24)/t12-,27-/s2
PDB

GoogleScholar
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



FORMA TM2, INC.

US Patent


Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


US Patent US10280150 (2019)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%