Compile Data Set for Download or QSAR

Found 1117 hits of ic50 for UniProtKB: P48735   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM497335 (7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...) Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	36.9	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...				US Patent US11001596 (2021) BindingDB Entry DOI: 10.7270/Q21V5J2Z
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM497348 (1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...) Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC(C)C)N3CCN(CC3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C28H38N6O3/c1-6-25(35)33-14-12-32(13-15-33)24(16-19(3)4)22-10-8-21(9-11-22)20(5)30-27-29-17-23-18-37-28(36)34(7-2)26(23)31-27/h6,8-11,17,19-20,24H,1,7,12-16,18H2,2-5H3,(H,29,30,31)/t20-,24?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...				US Patent US11001596 (2021) BindingDB Entry DOI: 10.7270/Q21V5J2Z
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280251 (US10028961, Compound 410 | US10172864, Compound 41...) Show SMILES FC(F)(F)c1cncc(n1)-c1nc(N[C@@H]2CCC(F)(F)C2)nc(N[C@@H]2CCC(F)(F)C2)n1 |r| Show InChI InChI=1S/C18H18F7N7/c19-16(20)3-1-9(5-16)27-14-30-13(11-7-26-8-12(29-11)18(23,24)25)31-15(32-14)28-10-2-4-17(21,22)6-10/h7-10H,1-6H2,(H2,27,28,30,31,32)/t9-,10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM279957 (US10028961, Compound 110 | US10172864, Compound 11...) Show SMILES CCC(Nc1nc(NC(CC)C2CC2)nc(n1)-c1cccc(Cl)n1)C1CC1 Show InChI InChI=1S/C20H27ClN6/c1-3-14(12-8-9-12)23-19-25-18(16-6-5-7-17(21)22-16)26-20(27-19)24-15(4-2)13-10-11-13/h5-7,12-15H,3-4,8-11H2,1-2H3,(H2,23,24,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme and cofactor, the...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM279960 (US10028961, Compound 113 | US10172864, Compound 11...) Show SMILES FC1(F)CCC(C1)Nc1nc(NC2CCC(F)(F)C2)nc(n1)-c1cccc(Cl)n1 Show InChI InChI=1S/C18H19ClF4N6/c19-13-3-1-2-12(26-13)14-27-15(24-10-4-6-17(20,21)8-10)29-16(28-14)25-11-5-7-18(22,23)9-11/h1-3,10-11H,4-9H2,(H2,24,25,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme and cofactor, the...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM279964 (US10028961, Compound 117 | US10172864, Compound 11...) Show SMILES CC(C)(C)Nc1nc(Nc2cccc(c2)C#N)nc(n1)-c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C20H18F3N7/c1-19(2,3)30-18-28-16(14-8-5-9-15(26-14)20(21,22)23)27-17(29-18)25-13-7-4-6-12(10-13)11-24/h4-10H,1-3H3,(H2,25,27,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme and cofactor, the...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM486531 (US10946023, Compound 342) Show SMILES FC(F)(F)c1nccc(n1)-c1nc(N[C@@H]2CCC(F)(F)C2)nc(Nc2ccnc(c2)C2(CC2)C#N)n1 |r| Show InChI InChI=1S/C22H18F5N9/c23-21(24)4-1-13(10-21)32-19-35-16(14-3-8-30-17(33-14)22(25,26)27)34-18(36-19)31-12-2-7-29-15(9-12)20(11-28)5-6-20/h2-3,7-9,13H,1,4-6,10H2,(H2,29,31,32,34,35,36)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280185 (US10028961, Compound 343 | US10172864, Compound 34...) Show SMILES FC(F)(F)c1cc(Nc2nc(N[C@H]3CCC(F)(F)C3)nc(n2)-c2ccnc(n2)C(F)(F)F)ccn1 |r| Show InChI InChI=1S/C19H14F8N8/c20-17(21)4-1-10(8-17)31-16-34-13(11-3-6-29-14(32-11)19(25,26)27)33-15(35-16)30-9-2-5-28-12(7-9)18(22,23)24/h2-3,5-7,10H,1,4,8H2,(H2,28,30,31,33,34,35)/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280188 (US10028961, Compound 346 | US10172864, Compound 34...) Show SMILES CC[C@H](Nc1nc(N[C@@H](CC)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H17F9N6/c1-3-9(15(18,19)20)28-13-30-12(8-6-5-7-11(27-8)17(24,25)26)31-14(32-13)29-10(4-2)16(21,22)23/h5-7,9-10H,3-4H2,1-2H3,(H2,28,29,30,31,32)/t9-,10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280189 (US10028961, Compound 347 | US10946023, Compound 34...) Show SMILES C[C@H](Nc1nc(Nc2ccnc(c2)C2(CC2)C#N)nc(n1)-c1cccc(n1)C(C)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C22H19F5N8/c1-12(22(25,26)27)30-18-33-17(14-4-3-5-15(32-14)20(2,23)24)34-19(35-18)31-13-6-9-29-16(10-13)21(11-28)7-8-21/h3-6,9-10,12H,7-8H2,1-2H3,(H2,29,30,31,33,34,35)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280190 (US10028961, Compound 348 | US10946023, Compound 34...) Show SMILES C[C@@H](Nc1nc(Nc2ccnc(c2)C2(CC2)C#N)nc(n1)-c1cccc(n1)C(C)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C22H19F5N8/c1-12(22(25,26)27)30-18-33-17(14-4-3-5-15(32-14)20(2,23)24)34-19(35-18)31-13-6-9-29-16(10-13)21(11-28)7-8-21/h3-6,9-10,12H,7-8H2,1-2H3,(H2,29,30,31,33,34,35)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280191 (US10028961, Compound 349 | US10946023, Compound 34...) Show SMILES C[C@H](Nc1nc(Nc2ccnc(c2)C2(CC2)C#N)nc(n1)-n1ccc(n1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C19H15F6N9/c1-10(18(20,21)22)28-14-30-15(29-11-2-6-27-13(8-11)17(9-26)4-5-17)32-16(31-14)34-7-3-12(33-34)19(23,24)25/h2-3,6-8,10H,4-5H2,1H3,(H2,27,28,29,30,31,32)/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280192 (US10028961, Compound 350 | US10946023, Compound 35...) Show SMILES FC(F)(F)c1ccn(n1)-c1nc(N[C@@H]2CCC(F)(F)C2)nc(Nc2ccnc(c2)C2(CC2)C#N)n1 |r| Show InChI InChI=1S/C21H18F5N9/c22-20(23)4-1-13(10-20)30-17-31-16(29-12-2-7-28-15(9-12)19(11-27)5-6-19)32-18(33-17)35-8-3-14(34-35)21(24,25)26/h2-3,7-9,13H,1,4-6,10H2,(H2,28,29,30,31,32,33)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280193 (US10028961, Compound 351 | US10172864, Compound 35...) Show SMILES C[C@H](Nc1nc(Nc2ccnc(c2)C2(CC2)C#N)nc(n1)-c1cccc(n1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C21H16F6N8/c1-11(20(22,23)24)30-17-33-16(13-3-2-4-14(32-13)21(25,26)27)34-18(35-17)31-12-5-8-29-15(9-12)19(10-28)6-7-19/h2-5,8-9,11H,6-7H2,1H3,(H2,29,30,31,33,34,35)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280194 (US10028961, Compound 352 | US10172864, Compound 35...) Show SMILES C[C@@H](Nc1nc(Nc2ccnc(c2)C2(CC2)C#N)nc(n1)-c1cccc(n1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C21H16F6N8/c1-11(20(22,23)24)30-17-33-16(13-3-2-4-14(32-13)21(25,26)27)34-18(35-17)31-12-5-8-29-15(9-12)19(10-28)6-7-19/h2-5,8-9,11H,6-7H2,1H3,(H2,29,30,31,33,34,35)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280195 (US10028961, Compound 353 | US10172864, Compound 35...) Show SMILES FC(F)(F)c1csc(n1)-c1nc(NC2CCC(F)(F)C2)nc(Nc2ccnc(c2)C(F)(F)F)n1 Show InChI InChI=1S/C18H13F8N7S/c19-16(20)3-1-9(6-16)29-15-32-12(13-30-11(7-34-13)18(24,25)26)31-14(33-15)28-8-2-4-27-10(5-8)17(21,22)23/h2,4-5,7,9H,1,3,6H2,(H2,27,28,29,31,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280196 (US10028961, Compound 354 | US10172864, Compound 35...) Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NCC2CC2(F)F)nc(NCC2CC2(F)F)n1 Show InChI InChI=1S/C17H15F7N6/c18-15(19)4-8(15)6-25-13-28-12(10-2-1-3-11(27-10)17(22,23)24)29-14(30-13)26-7-9-5-16(9,20)21/h1-3,8-9H,4-7H2,(H2,25,26,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280197 (US10028961, Compound 355 | US10172864, Compound 35...) Show SMILES CC(F)(F)c1cc(Nc2nc(N[C@@H]3CCC(F)(F)C3)nc(n2)-c2cccc(n2)C(F)(F)F)ccn1 |r| Show InChI InChI=1S/C21H18F7N7/c1-19(22,23)15-9-11(6-8-29-15)30-17-33-16(13-3-2-4-14(32-13)21(26,27)28)34-18(35-17)31-12-5-7-20(24,25)10-12/h2-4,6,8-9,12H,5,7,10H2,1H3,(H2,29,30,31,33,34,35)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280198 (US10028961, Compound 356 | US10172864, Compound 35...) Show SMILES C[C@H](Nc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)-n1ccc(n1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C16H11F9N8/c1-7(14(17,18)19)27-11-29-12(28-8-2-4-26-10(6-8)16(23,24)25)31-13(30-11)33-5-3-9(32-33)15(20,21)22/h2-7H,1H3,(H2,26,27,28,29,30,31)/t7-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280199 (US10028961, Compound 357 | US10946023, Compound 35...) Show SMILES CC(F)(F)c1csc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(NC2CCC(F)(F)CC2)n1 Show InChI InChI=1S/C20H24F6N6S/c1-18(21,22)13-10-33-15(29-13)14-30-16(27-11-2-6-19(23,24)7-3-11)32-17(31-14)28-12-4-8-20(25,26)9-5-12/h10-12H,2-9H2,1H3,(H2,27,28,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280200 (US10028961, Compound 358 | US10172864, Compound 35...) Show SMILES CC(F)(F)c1cc(Nc2nc(NC3CC(F)(F)C3)nc(n2)-c2cccc(n2)C(F)(F)F)ccn1 Show InChI InChI=1S/C20H16F7N7/c1-18(21,22)14-7-10(5-6-28-14)29-16-32-15(12-3-2-4-13(31-12)20(25,26)27)33-17(34-16)30-11-8-19(23,24)9-11/h2-7,11H,8-9H2,1H3,(H2,28,29,30,32,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280201 (US10028961, Compound 359 | US10172864, Compound 35...) Show SMILES C[C@@H](Nc1nc(Nc2ccnc(c2)-c2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H17F6N7/c1-13(22(24,25)26)31-20-34-19(16-8-5-9-18(33-16)23(27,28)29)35-21(36-20)32-15-10-11-30-17(12-15)14-6-3-2-4-7-14/h2-13H,1H3,(H2,30,31,32,34,35,36)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280202 (US10028961, Compound 360 | US10172864, Compound 36...) Show SMILES CC(F)(F)c1cc(Nc2nc(N[C@H]3CCC(F)(F)C3)nc(n2)-c2cccc(n2)C(F)(F)F)ccn1 |r| Show InChI InChI=1S/C21H18F7N7/c1-19(22,23)15-9-11(6-8-29-15)30-17-33-16(13-3-2-4-14(32-13)21(26,27)28)34-18(35-17)31-12-5-7-20(24,25)10-12/h2-4,6,8-9,12H,5,7,10H2,1H3,(H2,29,30,31,33,34,35)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280203 (US10028961, Compound 361 | US10172864, Compound 36...) Show SMILES CC(F)(F)c1cc(Nc2nc(NC3CCC(F)(F)CC3)nc(n2)-c2cccc(n2)C(F)(F)F)ccn1 Show InChI InChI=1S/C22H20F7N7/c1-20(23,24)16-11-13(7-10-30-16)32-19-35-17(14-3-2-4-15(33-14)22(27,28)29)34-18(36-19)31-12-5-8-21(25,26)9-6-12/h2-4,7,10-12H,5-6,8-9H2,1H3,(H2,30,31,32,34,35,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280204 (US10028961, Compound 362 | US10946023, Compound 36...) Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NCC2CC2(F)F)nc(Nc2ccnc(c2)C2(CC2)C#N)n1 Show InChI InChI=1S/C22H17F5N8/c23-21(24)9-12(21)10-30-18-33-17(14-2-1-3-15(32-14)22(25,26)27)34-19(35-18)31-13-4-7-29-16(8-13)20(11-28)5-6-20/h1-4,7-8,12H,5-6,9-10H2,(H2,29,30,31,33,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280206 (US10028961, Compound 364 | US10172864, Compound 36...) Show SMILES C[C@@H](Nc1nc(Nc2ccnc(c2)-c2ccc(Cl)cc2)nc(n1)-c1cccc(n1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H16ClF6N7/c1-12(22(25,26)27)32-20-35-19(16-3-2-4-18(34-16)23(28,29)30)36-21(37-20)33-15-9-10-31-17(11-15)13-5-7-14(24)8-6-13/h2-12H,1H3,(H2,31,32,33,35,36,37)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280207 (US10028961, Compound 365 | US10172864, Compound 36...) Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NCC2CC2(F)F)nc(Nc2ccnc(c2)C(F)(F)F)n1 Show InChI InChI=1S/C19H13F8N7/c20-17(21)7-9(17)8-29-15-32-14(11-2-1-3-12(31-11)18(22,23)24)33-16(34-15)30-10-4-5-28-13(6-10)19(25,26)27/h1-6,9H,7-8H2,(H2,28,29,30,32,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280208 (US10028961, Compound 366 | US10172864, Compound 36...) Show SMILES CC(F)(F)c1cncc(n1)-c1nc(NC2CC(F)(F)C2)nc(NC2CC(F)(F)C2)n1 Show InChI InChI=1S/C17H17F6N7/c1-15(18,19)11-7-24-6-10(27-11)12-28-13(25-8-2-16(20,21)3-8)30-14(29-12)26-9-4-17(22,23)5-9/h6-9H,2-5H2,1H3,(H2,25,26,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280209 (US10028961, Compound 367 | US10172864, Compound 36...) Show SMILES Fc1cc(F)cc(Nc2nc(NC3CCC(F)(F)CC3)nc(n2)-c2cncc(n2)C(F)(F)F)c1 Show InChI InChI=1S/C20H16F7N7/c21-10-5-11(22)7-13(6-10)30-18-33-16(14-8-28-9-15(31-14)20(25,26)27)32-17(34-18)29-12-1-3-19(23,24)4-2-12/h5-9,12H,1-4H2,(H2,29,30,32,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280210 (US10028961, Compound 368 | US10172864, Compound 36...) Show SMILES Fc1cc(F)cc(Nc2nc(N[C@H]3CCC(F)(F)C3)nc(n2)-c2cncc(n2)C(F)(F)F)c1 |r| Show InChI InChI=1S/C19H14F7N7/c20-9-3-10(21)5-12(4-9)29-17-32-15(13-7-27-8-14(30-13)19(24,25)26)31-16(33-17)28-11-1-2-18(22,23)6-11/h3-5,7-8,11H,1-2,6H2,(H2,28,29,31,32,33)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280211 (US10028961, Compound 369 | US10172864, Compound 36...) Show SMILES Fc1cc(F)cc(Nc2nc(N[C@@H]3CCC(F)(F)C3)nc(n2)-c2cncc(n2)C(F)(F)F)c1 |r| Show InChI InChI=1S/C19H14F7N7/c20-9-3-10(21)5-12(4-9)29-17-32-15(13-7-27-8-14(30-13)19(24,25)26)31-16(33-17)28-11-1-2-18(22,23)6-11/h3-5,7-8,11H,1-2,6H2,(H2,28,29,31,32,33)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280212 (US10028961, Compound 370 | US10172864, Compound 37...) Show SMILES CC(F)(F)c1cncc(n1)-c1nc(NC2CCC(F)(F)C2)nc(NC2CCC(F)(F)C2)n1 Show InChI InChI=1S/C19H21F6N7/c1-17(20,21)13-9-26-8-12(29-13)14-30-15(27-10-2-4-18(22,23)6-10)32-16(31-14)28-11-3-5-19(24,25)7-11/h8-11H,2-7H2,1H3,(H2,27,28,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280213 (US10028961, Compound 371 | US10172864, Compound 37...) Show SMILES C[C@@H](Nc1nc(Nc2ccnc(c2)-c2ccc(F)cc2)nc(n1)-c1cccc(n1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H16F7N7/c1-12(22(25,26)27)32-20-35-19(16-3-2-4-18(34-16)23(28,29)30)36-21(37-20)33-15-9-10-31-17(11-15)13-5-7-14(24)8-6-13/h2-12H,1H3,(H2,31,32,33,35,36,37)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280214 (US10028961, Compound 372 | US10172864, Compound 37...) Show SMILES CC(F)(F)c1cccc(n1)-c1nc(NC2CC(F)(F)C2)nc(Nc2ccnc(c2)C2(CC2)C#N)n1 Show InChI InChI=1S/C23H20F4N8/c1-21(24,25)16-4-2-3-15(32-16)18-33-19(35-20(34-18)31-14-10-23(26,27)11-14)30-13-5-8-29-17(9-13)22(12-28)6-7-22/h2-5,8-9,14H,6-7,10-11H2,1H3,(H2,29,30,31,33,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM486562 (US10946023, Compound 373) Show SMILES FC(F)(F)c1cncc(n1)-c1nc(N[C@H]2CCC(F)(F)C2)nc(Nc2ccnc(c2)C2(CC2)C#N)n1 |r| Show InChI InChI=1S/C22H18F5N9/c23-21(24)3-1-13(8-21)32-19-35-17(14-9-29-10-16(33-14)22(25,26)27)34-18(36-19)31-12-2-6-30-15(7-12)20(11-28)4-5-20/h2,6-7,9-10,13H,1,3-5,8H2,(H2,30,31,32,34,35,36)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280216 (US10028961, Compound 374 | US10172864, Compound 37...) Show SMILES CC(F)(F)c1cncc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(NC2CCC(F)(F)CC2)n1 Show InChI InChI=1S/C21H25F6N7/c1-19(22,23)15-11-28-10-14(31-15)16-32-17(29-12-2-6-20(24,25)7-3-12)34-18(33-16)30-13-4-8-21(26,27)9-5-13/h10-13H,2-9H2,1H3,(H2,29,30,32,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280217 (US10028961, Compound 375 | US10172864, Compound 37...) Show SMILES FC(F)(F)c1ccnc(n1)-c1nc(N[C@@H]2CCC(F)(F)C2)nc(Nc2ccnc(c2)C2(CC2)C#N)n1 |r| Show InChI InChI=1S/C22H18F5N9/c23-21(24)4-1-13(10-21)32-19-35-17(16-30-8-3-14(33-16)22(25,26)27)34-18(36-19)31-12-2-7-29-15(9-12)20(11-28)5-6-20/h2-3,7-9,13H,1,4-6,10H2,(H2,29,31,32,34,35,36)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280218 (US10028961, Compound 376 | US10172864, Compound 37...) Show SMILES FC(F)(F)c1ccnc(n1)-c1nc(N[C@H]2CCC(F)(F)C2)nc(Nc2ccnc(c2)C2(CC2)C#N)n1 |r| Show InChI InChI=1S/C22H18F5N9/c23-21(24)4-1-13(10-21)32-19-35-17(16-30-8-3-14(33-16)22(25,26)27)34-18(36-19)31-12-2-7-29-15(9-12)20(11-28)5-6-20/h2-3,7-9,13H,1,4-6,10H2,(H2,29,31,32,34,35,36)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280219 (US10028961, Compound 377 | US10946023, Compound 37...) Show SMILES C[C@@H](Nc1nc(Nc2ccnc(c2)C2(CC2)C#N)nc(n1)-c1cncc(n1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C20H15F6N9/c1-10(19(21,22)23)30-16-33-15(12-7-28-8-14(32-12)20(24,25)26)34-17(35-16)31-11-2-5-29-13(6-11)18(9-27)3-4-18/h2,5-8,10H,3-4H2,1H3,(H2,29,30,31,33,34,35)/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280220 (US10028961, Compound 378 | US10946023, Compound 37...) Show SMILES FC(F)(F)c1cncc(n1)-c1nc(N[C@@H]2CCC(F)(F)C2)nc(Nc2ccnc(c2)C2(CC2)C#N)n1 |r| Show InChI InChI=1S/C22H18F5N9/c23-21(24)3-1-13(8-21)32-19-35-17(14-9-29-10-16(33-14)22(25,26)27)34-18(36-19)31-12-2-6-30-15(7-12)20(11-28)4-5-20/h2,6-7,9-10,13H,1,3-5,8H2,(H2,30,31,32,34,35,36)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280221 (US10028961, Compound 379 | US10172864, Compound 37...) Show SMILES FC(F)(F)c1csc(n1)-c1nc(NCC2CC2)nc(Nc2ccnc(c2)C(F)(F)F)n1 Show InChI InChI=1S/C17H13F6N7S/c18-16(19,20)10-5-9(3-4-24-10)26-15-29-12(13-27-11(7-31-13)17(21,22)23)28-14(30-15)25-6-8-1-2-8/h3-5,7-8H,1-2,6H2,(H2,24,25,26,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280222 (US10028961, Compound 380 | US10172864, Compound 38...) Show SMILES FC(F)(F)c1cncc(n1)-c1nc(NC2CC3(C2)CC(F)(F)C3)nc(Nc2ccnc(c2)C(F)(F)F)n1 Show InChI InChI=1S/C21H16F8N8/c22-19(23)8-18(9-19)4-11(5-18)33-17-36-15(12-6-30-7-14(34-12)21(27,28)29)35-16(37-17)32-10-1-2-31-13(3-10)20(24,25)26/h1-3,6-7,11H,4-5,8-9H2,(H2,31,32,33,35,36,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280223 (US10028961, Compound 381 | US10172864, Compound 38...) Show SMILES FC(F)(F)c1ccn(n1)-c1nc(N[C@H]2CCC(F)(F)C2)nc(Nc2ccnc(c2)C#N)n1 |r| Show InChI InChI=1S/C18H14F5N9/c19-17(20)4-1-11(8-17)27-15-28-14(26-10-2-5-25-12(7-10)9-24)29-16(30-15)32-6-3-13(31-32)18(21,22)23/h2-3,5-7,11H,1,4,8H2,(H2,25,26,27,28,29,30)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM486571 (US10946023, Compound 382) Show SMILES FC(F)(F)c1ccn(n1)-c1nc(NC2CCC(F)(F)CC2)nc(Nc2ccnc(c2)C2(CC2)C#N)n1 Show InChI InChI=1S/C22H20F5N9/c23-21(24)5-1-13(2-6-21)30-17-32-18(31-14-3-9-29-16(11-14)20(12-28)7-8-20)34-19(33-17)36-10-4-15(35-36)22(25,26)27/h3-4,9-11,13H,1-2,5-8H2,(H2,29,30,31,32,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM486572 (US10946023, Compound 383) Show SMILES C[C@@H](Nc1nc(Nc2ccnc(c2)-c2ccc(cc2)C#N)nc(n1)-c1cccc(n1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H16F6N8/c1-13(23(25,26)27)33-21-36-20(17-3-2-4-19(35-17)24(28,29)30)37-22(38-21)34-16-9-10-32-18(11-16)15-7-5-14(12-31)6-8-15/h2-11,13H,1H3,(H2,32,33,34,36,37,38)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280226 (US10028961, Compound 384 | US10172864, Compound 38...) Show SMILES CC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(Nc2ccnc(c2)C2(CC2)C#N)n1 Show InChI InChI=1S/C24H22F4N8/c1-22(25,26)17-4-2-3-16(33-17)19-34-20(36-21(35-19)32-15-5-7-24(27,28)12-15)31-14-6-10-30-18(11-14)23(13-29)8-9-23/h2-4,6,10-11,15H,5,7-9,12H2,1H3,(H2,30,31,32,34,35,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280227 (US10028961, Compound 385 | US10172864, Compound 38...) Show SMILES FC(F)(F)c1cncc(n1)-c1nc(NC2CC3(C2)CC(F)(F)C3)nc(Nc2ccnc(c2)C2(CC2)C#N)n1 Show InChI InChI=1S/C24H20F5N9/c25-23(26)10-21(11-23)6-14(7-21)34-20-37-18(15-8-31-9-17(35-15)24(27,28)29)36-19(38-20)33-13-1-4-32-16(5-13)22(12-30)2-3-22/h1,4-5,8-9,14H,2-3,6-7,10-11H2,(H2,32,33,34,36,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280228 (US10028961, Compound 386 | US10172864, Compound 38...) Show SMILES C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(n1)-c1cncc(n1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C14H12F9N7/c1-5(12(15,16)17)25-10-28-9(7-3-24-4-8(27-7)14(21,22)23)29-11(30-10)26-6(2)13(18,19)20/h3-6H,1-2H3,(H2,25,26,28,29,30)/t5-,6-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280229 (US10028961, Compound 387 | US10172864, Compound 38...) Show SMILES FC(F)(F)c1cncc(n1)-c1nc(NCC2CC2)nc(Nc2ccnc(c2)C(F)(F)F)n1 Show InChI InChI=1S/C18H14F6N8/c19-17(20,21)12-5-10(3-4-26-12)28-16-31-14(30-15(32-16)27-6-9-1-2-9)11-7-25-8-13(29-11)18(22,23)24/h3-5,7-9H,1-2,6H2,(H2,26,27,28,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280230 (US10028961, Compound 388 | US10172864, Compound 38...) Show SMILES FC(F)(F)c1csc(n1)-c1nc(NC2CC(F)(F)C2)nc(Nc2ccnc(c2)C(F)(F)F)n1 Show InChI InChI=1S/C17H11F8N7S/c18-15(19)4-8(5-15)28-14-31-11(12-29-10(6-33-12)17(23,24)25)30-13(32-14)27-7-1-2-26-9(3-7)16(20,21)22/h1-3,6,8H,4-5H2,(H2,26,27,28,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair

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