BindingDB logo
myBDB logout

Patent code US10640534

Compile Data Set for Download or QSAR

Found 402 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))
BDBM363614
PNG
(US10640534, Compound 103 | US10689414, Compound 10...)
Show SMILES CS(=O)(=O)c1cccc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N
Show InChI InChI=1S/C31H29ClF2N6O5S/c1-46(44,45)22-6-4-5-21(17-22)39(29(43)25-9-10-26(41)40(25)30-36-16-13-20(18-35)38-30)27(23-7-2-3-8-24(23)32)28(42)37-19-11-14-31(33,34)15-12-19/h2-8,13,16-17,19,25,27H,9-12,14-15H2,1H3,(H,37,42)/t25-,27-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363617
PNG
(US10640534, Compound 106 | US10689414, Compound 10...)
Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CN(CC(=O)N1c1cc(ccn1)C#N)C1CC1
Show InChI InChI=1S/C32H27ClF4N6O3/c33-25-4-2-1-3-24(25)29(30(45)40-21-13-32(36,37)14-21)42(23-11-19(34)10-20(35)12-23)31(46)26-16-41(22-5-6-22)17-28(44)43(26)27-9-18(15-38)7-8-39-27/h1-4,7-12,21-22,26,29H,5-6,13-14,16-17H2,(H,40,45)/t26-,29-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363618
PNG
(US10640534, Compound 107 | US10689414, Compound 10...)
Show SMILES OCCN1C[C@H](N(C(=O)C1)c1cc(ccn1)C#N)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cc(F)cc(F)c1
Show InChI InChI=1S/C31H27ClF4N6O4/c32-24-4-2-1-3-23(24)28(29(45)39-21-13-31(35,36)14-21)41(22-11-19(33)10-20(34)12-22)30(46)25-16-40(7-8-43)17-27(44)42(25)26-9-18(15-37)5-6-38-26/h1-6,9-12,21,25,28,43H,7-8,13-14,16-17H2,(H,39,45)/t25-,28-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM441917
PNG
(US10640534, Compound 110)
Show SMILES CS(=O)(=O)c1cc(F)cc(c1)N(C(C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N
Show InChI InChI=1S/C29H24ClF3N6O5S/c1-45(43,44)20-11-16(31)10-19(12-20)38(27(42)23-6-7-24(40)39(23)28-35-9-8-17(15-34)37-28)25(21-4-2-3-5-22(21)30)26(41)36-18-13-29(32,33)14-18/h2-5,8-12,18,23,25H,6-7,13-14H2,1H3,(H,36,41)/t23-,25?/m0/s1
PDB

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



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363625
PNG
(US10640534, Compound 114 | US10689414, Compound 11...)
Show SMILES O[C@@H]1C[C@H](N(C1=O)c1cc(ccn1)C#N)C(=O)N([C@@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cc(F)cc(F)c1
Show InChI InChI=1S/C29H22ClF4N5O4/c30-21-4-2-1-3-20(21)25(26(41)37-18-12-29(33,34)13-18)38(19-9-16(31)8-17(32)10-19)27(42)22-11-23(40)28(43)39(22)24-7-15(14-35)5-6-36-24/h1-10,18,22-23,25,40H,11-13H2,(H,37,41)/t22-,23+,25+/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363630
PNG
(US10640534, Compound 118 | US10689414, Compound 11...)
Show SMILES O[C@H]1C[C@H](N(C1=O)c1cc(ccn1)C#N)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cccc(F)c1
Show InChI InChI=1S/C29H23ClF3N5O4/c30-21-7-2-1-6-20(21)25(26(40)36-18-13-29(32,33)14-18)37(19-5-3-4-17(31)11-19)27(41)22-12-23(39)28(42)38(22)24-10-16(15-34)8-9-35-24/h1-11,18,22-23,25,39H,12-14H2,(H,36,40)/t22-,23-,25-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363632
PNG
(US10640534, Compound 120 | US9850277, Compound 120)
Show SMILES O[C@@H]1C[C@H](N(C1=O)c1nccc(n1)C#N)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cccc(F)c1
Show InChI InChI=1S/C28H22ClF3N6O4/c29-20-7-2-1-6-19(20)23(24(40)35-17-12-28(31,32)13-17)37(18-5-3-4-15(30)10-18)25(41)21-11-22(39)26(42)38(21)27-34-9-8-16(14-33)36-27/h1-10,17,21-23,39H,11-13H2,(H,35,40)/t21-,22+,23-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363645
PNG
(US10640534, Compound 132 | US10689414, Compound 13...)
Show SMILES Fc1cncc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1COC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1S/C29H24ClF3N6O4/c30-22-4-2-1-3-21(22)25(26(40)37-19-5-8-29(32,33)9-6-19)38(20-12-18(31)14-35-15-20)27(41)23-16-43-28(42)39(23)24-11-17(13-34)7-10-36-24/h1-4,7,10-12,14-15,19,23,25H,5-6,8-9,16H2,(H,37,40)/t23-,25-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363645
PNG
(US10640534, Compound 132 | US10689414, Compound 13...)
Show SMILES Fc1cncc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1COC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1S/C29H24ClF3N6O4/c30-22-4-2-1-3-21(22)25(26(40)37-19-5-8-29(32,33)9-6-19)38(20-12-18(31)14-35-15-20)27(41)23-16-43-28(42)39(23)24-11-17(13-34)7-10-36-24/h1-4,7,10-12,14-15,19,23,25H,5-6,8-9,16H2,(H,37,40)/t23-,25-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363646
PNG
(US10640534, Compound 133 | US10689414, Compound 13...)
Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCOC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1S/C29H22ClF4N5O4/c30-22-4-2-1-3-21(22)25(26(40)37-19-13-29(33,34)14-19)38(20-11-17(31)10-18(32)12-20)27(41)23-6-8-43-28(42)39(23)24-9-16(15-35)5-7-36-24/h1-5,7,9-12,19,23,25H,6,8,13-14H2,(H,37,40)/t23-,25-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363690
PNG
(US10640534, Compound 177 | US10689414, Compound 17...)
Show SMILES Fc1cc(cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)C#N
Show InChI InChI=1S/C30H22ClF3N6O3/c31-23-4-2-1-3-22(23)27(28(42)38-20-13-30(33,34)14-20)39(21-10-18(16-36)9-19(32)12-21)29(43)24-5-6-26(41)40(24)25-11-17(15-35)7-8-37-25/h1-4,7-12,20,24,27H,5-6,13-14H2,(H,38,42)/t24-,27-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363695
PNG
(US10640534, Compound 182 | US10689414, Compound 18...)
Show SMILES FC1(F)CC(C1)NC(=O)[C@@H](N(C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N)c1cccc(c1)C1CC1)c1ccccc1Cl
Show InChI InChI=1S/C31H27ClF2N6O3/c32-24-7-2-1-6-23(24)27(28(42)37-21-15-31(33,34)16-21)39(22-5-3-4-19(14-22)18-8-9-18)29(43)25-10-11-26(41)40(25)30-36-13-12-20(17-35)38-30/h1-7,12-14,18,21,25,27H,8-11,15-16H2,(H,37,42)/t25-,27-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM441993
PNG
(US10640534, Compound 186)
Show SMILES FC1(F)CC(C1)NC(=O)C(N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)c1cccc2cn[nH]c12)c1ccccc1Cl
PDB

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



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363715
PNG
(US10640534, Compound 202 | US10689414, Compound 20...)
Show SMILES Fc1cc(cc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)C1CC1
Show InChI InChI=1S/C34H31ClF3N5O3/c35-27-4-2-1-3-26(27)31(32(45)41-24-9-12-34(37,38)13-10-24)42(25-17-22(21-5-6-21)16-23(36)18-25)33(46)28-7-8-30(44)43(28)29-15-20(19-39)11-14-40-29/h1-4,11,14-18,21,24,28,31H,5-10,12-13H2,(H,41,45)/t28-,31-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363719
PNG
(US10640534, Compound 206 | US10689414, Compound 20...)
Show SMILES FC1(F)CC(C1)NC(=O)[C@@H](N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)c1ccc2[nH]ccc2c1)c1ccccc1Cl
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363720
PNG
(US10640534, Compound 208 | US10689414, Compound 20...)
Show SMILES Fc1cc(cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1F)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)C#N
Show InChI InChI=1S/C30H22F4N6O3/c31-19-9-18(16-36)10-21(12-19)39(29(43)24-5-6-26(41)40(24)25-11-17(15-35)7-8-37-25)27(22-3-1-2-4-23(22)32)28(42)38-20-13-30(33,34)14-20/h1-4,7-12,20,24,27H,5-6,13-14H2,(H,38,42)/t24-,27-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363504
PNG
(US10640534, Compound 1 | US10689414, Compound 1 | ...)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1ncccn1
Show InChI InChI=1S/C27H23ClF3N5O3/c28-20-8-2-1-7-19(20)23(24(38)34-17-14-27(30,31)15-17)35(18-6-3-5-16(29)13-18)25(39)21-9-10-22(37)36(21)26-32-11-4-12-33-26/h1-8,11-13,17,21,23H,9-10,14-15H2,(H,34,38)/t21-,23-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363511
PNG
(US10640534, Compound 4 | US10689414, Compound 4 | ...)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)C1CCC(=O)N1c1ncccn1
Show InChI InChI=1S/C29H27ClF3N5O3/c30-22-8-2-1-7-21(22)25(26(40)36-19-11-13-29(32,33)14-12-19)37(20-6-3-5-18(31)17-20)27(41)23-9-10-24(39)38(23)28-34-15-4-16-35-28/h1-8,15-17,19,23,25H,9-14H2,(H,36,40)/t23?,25-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363523
PNG
(US10640534, Compound 15 | US10689414, Compound 15 ...)
Show SMILES Cc1cccnc1N1[C@@H](CCC1=O)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cccc(F)c1
Show InChI InChI=1S/C29H26ClF3N4O3/c1-17-6-5-13-34-26(17)37-23(11-12-24(37)38)28(40)36(20-8-4-7-18(31)14-20)25(21-9-2-3-10-22(21)30)27(39)35-19-15-29(32,33)16-19/h2-10,13-14,19,23,25H,11-12,15-16H2,1H3,(H,35,39)/t23-,25-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363528
PNG
(US10640534, Compound 20 | US10689414, Compound 20 ...)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCCC(=O)N1c1ncccn1
Show InChI InChI=1S/C28H25ClF3N5O3/c29-21-9-2-1-8-20(21)24(25(39)35-18-15-28(31,32)16-18)36(19-7-3-6-17(30)14-19)26(40)22-10-4-11-23(38)37(22)27-33-12-5-13-34-27/h1-3,5-9,12-14,18,22,24H,4,10-11,15-16H2,(H,35,39)/t22-,24-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363539
PNG
(US10640534, Compound 31 | US10689414, Compound 31 ...)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C29H23ClF6N4O3/c30-21-7-2-1-6-20(21)25(26(42)38-18-13-28(32,33)14-18)39(19-5-3-4-17(31)12-19)27(43)22-9-11-24(41)40(22)23-10-8-16(15-37-23)29(34,35)36/h1-8,10,12,15,18,22,25H,9,11,13-14H2,(H,38,42)/t22-,25-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363543
PNG
(US10640534, Compound 35 | US10689414, Compound 35 ...)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cccc(Cl)n1
Show InChI InChI=1S/C28H23Cl2F3N4O3/c29-20-8-2-1-7-19(20)25(26(39)34-17-14-28(32,33)15-17)36(18-6-3-5-16(31)13-18)27(40)21-11-12-24(38)37(21)23-10-4-9-22(30)35-23/h1-10,13,17,21,25H,11-12,14-15H2,(H,34,39)/t21-,25-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363577
PNG
(US10640534, Compound 69 | US10689414, Compound 69 ...)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1ncccc1C#N
Show InChI InChI=1S/C29H23ClF3N5O3/c30-22-9-2-1-8-21(22)25(27(40)36-19-14-29(32,33)15-19)37(20-7-3-6-18(31)13-20)28(41)23-10-11-24(39)38(23)26-17(16-34)5-4-12-35-26/h1-9,12-13,19,23,25H,10-11,14-15H2,(H,36,40)/t23-,25-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363578
PNG
(US10640534, Compound 70 | US10689414, Compound 70 ...)
Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1ncccn1
Show InChI InChI=1S/C27H22ClF4N5O3/c28-20-5-2-1-4-19(20)23(24(39)35-17-13-27(31,32)14-17)36(18-11-15(29)10-16(30)12-18)25(40)21-6-7-22(38)37(21)26-33-8-3-9-34-26/h1-5,8-12,17,21,23H,6-7,13-14H2,(H,35,39)/t21-,23-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363579
PNG
(US10640534, Compound 163 | US10689414, Compound 16...)
Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1S/C29H22ClF4N5O3/c30-22-4-2-1-3-21(22)26(27(41)37-19-13-29(33,34)14-19)38(20-11-17(31)10-18(32)12-20)28(42)23-5-6-25(40)39(23)24-9-16(15-35)7-8-36-24/h1-4,7-12,19,23,26H,5-6,13-14H2,(H,37,41)/t23-,26-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363591
PNG
(US10640534, Compound 83 | US10689414, Compound 83 ...)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(C#N)c1F
Show InChI InChI=1S/C31H26ClF4N5O3/c32-23-7-2-1-6-22(23)27(29(43)39-20-10-13-31(35,36)14-11-20)40(21-5-3-4-19(33)16-21)30(44)24-8-9-25(42)41(24)28-26(34)18(17-37)12-15-38-28/h1-7,12,15-16,20,24,27H,8-11,13-14H2,(H,39,43)/t24-,27-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363592
PNG
(US10640534, Compound 84 | US10689414, Compound 84 ...)
Show SMILES NS(=O)(=O)c1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1S/C29H25ClF2N6O5S/c30-22-7-2-1-6-21(22)26(27(40)36-18-14-29(31,32)15-18)37(19-4-3-5-20(13-19)44(34,42)43)28(41)23-8-9-25(39)38(23)24-12-17(16-33)10-11-35-24/h1-7,10-13,18,23,26H,8-9,14-15H2,(H,36,40)(H2,34,42,43)/t23-,26-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363608
PNG
(US10640534, Compound 97 | US10689414, Compound 97 ...)
Show SMILES CC(C)(C)OC(=O)N1C[C@H](N(C(=O)C1)c1cc(ccn1)C#N)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cc(F)cc(F)c1
Show InChI InChI=1S/C34H31ClF4N6O5/c1-33(2,3)50-32(49)43-17-26(45(28(46)18-43)27-10-19(16-40)8-9-41-27)31(48)44(23-12-20(36)11-21(37)13-23)29(24-6-4-5-7-25(24)35)30(47)42-22-14-34(38,39)15-22/h4-13,22,26,29H,14-15,17-18H2,1-3H3,(H,42,47)/t26-,29-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363611
PNG
(US10640534, Compound 100 | US10689414, Compound 10...)
Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CNCC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1S/C29H23ClF4N6O3/c30-22-4-2-1-3-21(22)26(27(42)38-19-11-29(33,34)12-19)39(20-9-17(31)8-18(32)10-20)28(43)23-14-36-15-25(41)40(23)24-7-16(13-35)5-6-37-24/h1-10,19,23,26,36H,11-12,14-15H2,(H,38,42)/t23-,26-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363652
PNG
(US10640534, Compound 139 | US10689414, Compound 13...)
Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1CCOC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1S/C31H26ClF4N5O4/c32-24-4-2-1-3-23(24)27(28(42)39-21-5-9-31(35,36)10-6-21)40(22-15-19(33)14-20(34)16-22)29(43)25-8-12-45-30(44)41(25)26-13-18(17-37)7-11-38-26/h1-4,7,11,13-16,21,25,27H,5-6,8-10,12H2,(H,39,42)/t25-,27-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363654
PNG
(US10640534, Compound 141 | US10689414, Compound 14...)
Show SMILES FC1(F)CCC(CC1)NC(=O)C(N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)c1cccc2[nH]cnc12)c1ccccc1Cl
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363657
PNG
(US10640534, Compound 144 | US10689414, Compound 14...)
Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1CCOC(=O)N1c1nccc(n1)C#N
Show InChI InChI=1S/C30H25ClF4N6O4/c31-23-4-2-1-3-22(23)25(26(42)38-19-5-9-30(34,35)10-6-19)40(21-14-17(32)13-18(33)15-21)27(43)24-8-12-45-29(44)41(24)28-37-11-7-20(16-36)39-28/h1-4,7,11,13-15,19,24-25H,5-6,8-10,12H2,(H,38,42)/t24-,25-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363660
PNG
(US10640534, Compound 147 | US10689414, Compound 14...)
Show SMILES Fc1cncc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1S/C28H23F3N6O3/c29-19-11-21(16-33-15-19)36(25(18-4-2-1-3-5-18)26(39)35-20-12-28(30,31)13-20)27(40)22-6-7-24(38)37(22)23-10-17(14-32)8-9-34-23/h1-5,8-11,15-16,20,22,25H,6-7,12-13H2,(H,35,39)/t22-,25-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363668
PNG
(US10640534, Compound 155 | US10689414, Compound 15...)
Show SMILES CC(C)(O)c1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1S/C32H30F3N5O4/c1-31(2,44)21-13-22(33)15-24(14-21)39(28(20-6-4-3-5-7-20)29(42)38-23-16-32(34,35)17-23)30(43)25-8-9-27(41)40(25)26-12-19(18-36)10-11-37-26/h3-7,10-15,23,25,28,44H,8-9,16-17H2,1-2H3,(H,38,42)/t25-,28-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363671
PNG
(US10640534, Compound 158 | US10689414, Compound 15...)
Show SMILES NS(=O)(=O)c1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1S/C29H24ClF3N6O5S/c30-22-4-2-1-3-21(22)26(27(41)37-18-13-29(32,33)14-18)38(19-10-17(31)11-20(12-19)45(35,43)44)28(42)23-5-6-25(40)39(23)24-9-16(15-34)7-8-36-24/h1-4,7-12,18,23,26H,5-6,13-14H2,(H,37,41)(H2,35,43,44)/t23-,26-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363675
PNG
(US10640534, Compound 162 | US10689414, Compound 16...)
Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1ncc(o1)C#N
Show InChI InChI=1S/C27H20ClF4N5O4/c28-20-4-2-1-3-19(20)23(24(39)35-16-10-27(31,32)11-16)36(17-8-14(29)7-15(30)9-17)25(40)21-5-6-22(38)37(21)26-34-13-18(12-33)41-26/h1-4,7-9,13,16,21,23H,5-6,10-11H2,(H,35,39)/t21-,23-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363579
PNG
(US10640534, Compound 163 | US10689414, Compound 16...)
Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1S/C29H22ClF4N5O3/c30-22-4-2-1-3-21(22)26(27(41)37-19-13-29(33,34)14-19)38(20-11-17(31)10-18(32)12-20)28(42)23-5-6-25(40)39(23)24-9-16(15-35)7-8-36-24/h1-4,7-12,19,23,26H,5-6,13-14H2,(H,37,41)/t23-,26-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363678
PNG
(US10640534, Compound 165 | US10689414, Compound 16...)
Show SMILES CC(C)(C)c1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N
Show InChI InChI=1S/C32H31ClF2N6O3/c1-31(2,3)19-7-6-8-22(15-19)40(29(44)25-11-12-26(42)41(25)30-37-14-13-20(18-36)39-30)27(23-9-4-5-10-24(23)33)28(43)38-21-16-32(34,35)17-21/h4-10,13-15,21,25,27H,11-12,16-17H2,1-3H3,(H,38,43)/t25-,27-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363723
PNG
(US10640534, Compound 210 | US10689414, Compound 21...)
Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1S/C29H23F4N5O3/c30-19-11-20(31)13-22(12-19)37(26(18-4-2-1-3-5-18)27(40)36-21-14-29(32,33)15-21)28(41)23-6-7-25(39)38(23)24-10-17(16-34)8-9-35-24/h1-5,8-13,21,23,26H,6-7,14-15H2,(H,36,40)/t23-,26-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363617
PNG
(US10640534, Compound 106 | US10689414, Compound 10...)
Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CN(CC(=O)N1c1cc(ccn1)C#N)C1CC1
Show InChI InChI=1S/C32H27ClF4N6O3/c33-25-4-2-1-3-24(25)29(30(45)40-21-13-32(36,37)14-21)42(23-11-19(34)10-20(35)12-23)31(46)26-16-41(22-5-6-22)17-28(44)43(26)27-9-18(15-38)7-8-39-27/h1-4,7-12,21-22,26,29H,5-6,13-14,16-17H2,(H,40,45)/t26-,29-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363618
PNG
(US10640534, Compound 107 | US10689414, Compound 10...)
Show SMILES OCCN1C[C@H](N(C(=O)C1)c1cc(ccn1)C#N)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cc(F)cc(F)c1
Show InChI InChI=1S/C31H27ClF4N6O4/c32-24-4-2-1-3-23(24)28(29(45)39-21-13-31(35,36)14-21)41(22-11-19(33)10-20(34)12-22)30(46)25-16-40(7-8-43)17-27(44)42(25)26-9-18(15-37)5-6-38-26/h1-6,9-12,21,25,28,43H,7-8,13-14,16-17H2,(H,39,45)/t25-,28-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363622
PNG
(US10640534, Compound 111 | US10689414, Compound 11...)
Show SMILES CCOC(=O)CN1C[C@H](N(C1=O)c1nccc(n1)C#N)C(=O)N(C(C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cccc(F)c1
Show InChI InChI=1S/C31H27ClF3N7O5/c1-2-47-25(43)17-40-16-24(42(30(40)46)29-37-11-10-19(15-36)39-29)28(45)41(21-7-5-6-18(33)12-21)26(22-8-3-4-9-23(22)32)27(44)38-20-13-31(34,35)14-20/h3-12,20,24,26H,2,13-14,16-17H2,1H3,(H,38,44)/t24-,26?/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363622
PNG
(US10640534, Compound 111 | US10689414, Compound 11...)
Show SMILES CCOC(=O)CN1C[C@H](N(C1=O)c1nccc(n1)C#N)C(=O)N(C(C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cccc(F)c1
Show InChI InChI=1S/C31H27ClF3N7O5/c1-2-47-25(43)17-40-16-24(42(30(40)46)29-37-11-10-19(15-36)39-29)28(45)41(21-7-5-6-18(33)12-21)26(22-8-3-4-9-23(22)32)27(44)38-20-13-31(34,35)14-20/h3-12,20,24,26H,2,13-14,16-17H2,1H3,(H,38,44)/t24-,26?/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363626
PNG
(US10640534, Compound 115 | US10689414, Compound 11...)
Show SMILES O[C@@H]1C[C@H](N(C1=O)c1cc(ccn1)C#N)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cc(F)cc(F)c1
Show InChI InChI=1S/C29H22ClF4N5O4/c30-21-4-2-1-3-20(21)25(26(41)37-18-12-29(33,34)13-18)38(19-9-16(31)8-17(32)10-19)27(42)22-11-23(40)28(43)39(22)24-7-15(14-35)5-6-36-24/h1-10,18,22-23,25,40H,11-13H2,(H,37,41)/t22-,23+,25-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363628
PNG
(US10640534, Compound 117 | US10689414, Compound 11...)
Show SMILES O[C@@H]1C[C@H](N(C1=O)c1nccc(n1)C#N)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cc(F)cc(F)c1
Show InChI InChI=1S/C28H21ClF4N6O4/c29-20-4-2-1-3-19(20)23(24(41)36-17-11-28(32,33)12-17)38(18-8-14(30)7-15(31)9-18)25(42)21-10-22(40)26(43)39(21)27-35-6-5-16(13-34)37-27/h1-9,17,21-23,40H,10-12H2,(H,36,41)/t21-,22+,23-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363639
PNG
(US10640534, Compound 126 | US10689414, Compound 12...)
Show SMILES O[C@@H]1C[C@H](N(C1=O)c1nccc(n1)C#N)C(=O)N([C@@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)c1cc(F)cc(F)c1
Show InChI InChI=1S/C30H25ClF4N6O4/c31-22-4-2-1-3-21(22)25(26(43)38-18-5-8-30(34,35)9-6-18)40(20-12-16(32)11-17(33)13-20)27(44)23-14-24(42)28(45)41(23)29-37-10-7-19(15-36)39-29/h1-4,7,10-13,18,23-25,42H,5-6,8-9,14H2,(H,38,43)/t23-,24+,25+/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363639
PNG
(US10640534, Compound 126 | US10689414, Compound 12...)
Show SMILES O[C@@H]1C[C@H](N(C1=O)c1nccc(n1)C#N)C(=O)N([C@@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)c1cc(F)cc(F)c1
Show InChI InChI=1S/C30H25ClF4N6O4/c31-22-4-2-1-3-21(22)25(26(43)38-18-5-8-30(34,35)9-6-18)40(20-12-16(32)11-17(33)13-20)27(44)23-14-24(42)28(45)41(23)29-37-10-7-19(15-36)39-29/h1-4,7,10-13,18,23-25,42H,5-6,8-9,14H2,(H,38,43)/t23-,24+,25+/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363640
PNG
(US10640534, Compound 127 | US10689414, Compound 12...)
Show SMILES O[C@@H]1C[C@H](N(C1=O)c1nccc(n1)C#N)C(=O)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)c1cc(F)cc(F)c1
Show InChI InChI=1S/C30H25ClF4N6O4/c31-22-4-2-1-3-21(22)25(26(43)38-18-5-8-30(34,35)9-6-18)40(20-12-16(32)11-17(33)13-20)27(44)23-14-24(42)28(45)41(23)29-37-10-7-19(15-36)39-29/h1-4,7,10-13,18,23-25,42H,5-6,8-9,14H2,(H,38,43)/t23-,24+,25-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363641
PNG
(US10640534, Compound 128 | US10689414, Compound 12...)
Show SMILES FC1(F)CC(C1)NC(=O)[C@@H](N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)c1cccc(c1)C#N)c1ccccc1Cl
Show InChI InChI=1S/C30H23ClF2N6O3/c31-23-7-2-1-6-22(23)27(28(41)37-20-14-30(32,33)15-20)38(21-5-3-4-18(12-21)16-34)29(42)24-8-9-26(40)39(24)25-13-19(17-35)10-11-36-25/h1-7,10-13,20,24,27H,8-9,14-15H2,(H,37,41)/t24-,27-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363688
PNG
(US10640534, Compound 175 | US10689414, Compound 17...)
Show SMILES FC1(F)CC(C1)NC(=O)[C@@H](N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)c1ccc2[nH]ncc2c1)c1ccccc1Cl
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10640534 (2020)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 402 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%