Compile Data Set for Download or QSAR

Found 135 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 586   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279855 (US10028961, Compound 2 | US10172864, Compound 2 | ...) Show SMILES C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C19H23F3N6/c1-10(12-6-7-12)23-17-26-16(14-4-3-5-15(25-14)19(20,21)22)27-18(28-17)24-11(2)13-8-9-13/h3-5,10-13H,6-9H2,1-2H3,(H2,23,24,26,27,28)/t10-,11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM279855 (US10028961, Compound 2 | US10172864, Compound 2 | ...) Show SMILES C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C19H23F3N6/c1-10(12-6-7-12)23-17-26-16(14-4-3-5-15(25-14)19(20,21)22)27-18(28-17)24-11(2)13-8-9-13/h3-5,10-13H,6-9H2,1-2H3,(H2,23,24,26,27,28)/t10-,11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279871 (US10028961, Compound 18 | US10172864, Compound 18 ...) Show SMILES CC(C)[C@@H](C)Nc1nc(N[C@H](C)C(C)C)nc(n1)-c1cccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C19H27F3N6/c1-10(2)12(5)23-17-26-16(27-18(28-17)24-13(6)11(3)4)14-8-7-9-15(25-14)19(20,21)22/h7-13H,1-6H3,(H2,23,24,26,27,28)/t12-,13-/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	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279886 (US10028961, Compound 33 | US10172864, Compound 33 ...) Show SMILES C[C@H](Nc1nc(N[C@@H](C)C2CC2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C19H23F3N6/c1-10(12-6-7-12)23-17-26-16(14-4-3-5-15(25-14)19(20,21)22)27-18(28-17)24-11(2)13-8-9-13/h3-5,10-13H,6-9H2,1-2H3,(H2,23,24,26,27,28)/t10-,11-/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	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279903 (US10028961, Compound 50 | US10172864, Compound 50) Show SMILES C[C@@H](Nc1nc(NC2CCC(F)(F)CC2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C20H23F5N6/c1-11(12-5-6-12)26-17-29-16(14-3-2-4-15(28-14)20(23,24)25)30-18(31-17)27-13-7-9-19(21,22)10-8-13/h2-4,11-13H,5-10H2,1H3,(H2,26,27,29,30,31)/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	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279898 (US10028961, Compound 45 | US10172864, Compound 45 ...) Show SMILES C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(Cl)n1)C1CC1 |r| Show InChI InChI=1S/C18H23ClN6/c1-10(12-6-7-12)20-17-23-16(14-4-3-5-15(19)22-14)24-18(25-17)21-11(2)13-8-9-13/h3-5,10-13H,6-9H2,1-2H3,(H2,20,21,23,24,25)/t10-,11-/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	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279892 (US10028961, Compound 39 | US10172864, Compound 39 ...) Show SMILES CCCC(C)Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C19H25F3N6/c1-4-6-11(2)23-17-26-16(14-7-5-8-15(25-14)19(20,21)22)27-18(28-17)24-12(3)13-9-10-13/h5,7-8,11-13H,4,6,9-10H2,1-3H3,(H2,23,24,26,27,28)/t11?,12-/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	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279889 (US10028961, Compound 36 | US10172864, Compound 36 ...) Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CC3CC3C2)nc(NC2CC3CC3C2)n1 Show InChI InChI=1S/C21H23F3N6/c22-21(23,24)17-3-1-2-16(27-17)18-28-19(25-14-6-10-4-11(10)7-14)30-20(29-18)26-15-8-12-5-13(12)9-15/h1-3,10-15H,4-9H2,(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	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279887 (US10028961, Compound 34 | US10172864, Compound 34 ...) Show SMILES C[C@@H](Nc1nc(N[C@@H](C)C2CC2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C19H23F3N6/c1-10(12-6-7-12)23-17-26-16(14-4-3-5-15(25-14)19(20,21)22)27-18(28-17)24-11(2)13-8-9-13/h3-5,10-13H,6-9H2,1-2H3,(H2,23,24,26,27,28)/t10-,11+	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	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM279884 (US10028961, Compound 31 | US10172864, Compound 31 ...) Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(NC2CCC(F)(F)C2)n1 Show InChI InChI=1S/C19H19F7N6/c20-17(21)6-4-10(8-17)27-15-30-14(12-2-1-3-13(29-12)19(24,25)26)31-16(32-15)28-11-5-7-18(22,23)9-11/h1-3,10-11H,4-9H2,(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	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279884 (US10028961, Compound 31 | US10172864, Compound 31 ...) Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(NC2CCC(F)(F)C2)n1 Show InChI InChI=1S/C19H19F7N6/c20-17(21)6-4-10(8-17)27-15-30-14(12-2-1-3-13(29-12)19(24,25)26)31-16(32-15)28-11-5-7-18(22,23)9-11/h1-3,10-11H,4-9H2,(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	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279866 (US10028961, Compound 13 | US10172864, Compound 13 ...) Show SMILES CC(C)C(C)Nc1nc(NC(C)C(C)C)nc(n1)-c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C19H27F3N6/c1-10(2)12(5)23-17-26-16(27-18(28-17)24-13(6)11(3)4)14-8-7-9-15(25-14)19(20,21)22/h7-13H,1-6H3,(H2,23,24,26,27,28)	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	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279873 (US10028961, Compound 20 | US10172864, Compound 20) Show SMILES C[C@@H](Nc1nc(N[C@@H](C)c2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C22H23F3N6/c1-13(15-7-4-3-5-8-15)26-20-29-19(17-9-6-10-18(28-17)22(23,24)25)30-21(31-20)27-14(2)16-11-12-16/h3-10,13-14,16H,11-12H2,1-2H3,(H2,26,27,29,30,31)/t13-,14+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279880 (US10028961, Compound 27 | US10172864, Compound 27 ...) Show SMILES C[C@@H](Nc1nc(NC(C)c2cccc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C23H22F6N6/c1-12(14-9-10-14)30-20-33-19(17-7-4-8-18(32-17)23(27,28)29)34-21(35-20)31-13(2)15-5-3-6-16(11-15)22(24,25)26/h3-8,11-14H,9-10H2,1-2H3,(H2,30,31,33,34,35)/t12-,13?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279876 (US10028961, Compound 23 | US10172864, Compound 23 ...) Show SMILES C[C@@H](Nc1nc(N[C@@H]2C[C@H]2c2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C23H23F3N6/c1-13(14-10-11-14)27-21-30-20(17-8-5-9-19(28-17)23(24,25)26)31-22(32-21)29-18-12-16(18)15-6-3-2-4-7-15/h2-9,13-14,16,18H,10-12H2,1H3,(H2,27,29,30,31,32)/t13-,16+,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279881 (US10028961, Compound 28 | US10172864, Compound 28 ...) Show SMILES C[C@@H](Nc1nc(NC(C)c2cccc(F)c2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C22H22F4N6/c1-12(14-9-10-14)27-20-30-19(17-7-4-8-18(29-17)22(24,25)26)31-21(32-20)28-13(2)15-5-3-6-16(23)11-15/h3-8,11-14H,9-10H2,1-2H3,(H2,27,28,30,31,32)/t12-,13?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM279881 (US10028961, Compound 28 | US10172864, Compound 28 ...) Show SMILES C[C@@H](Nc1nc(NC(C)c2cccc(F)c2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C22H22F4N6/c1-12(14-9-10-14)27-20-30-19(17-7-4-8-18(29-17)22(24,25)26)31-21(32-20)28-13(2)15-5-3-6-16(23)11-15/h3-8,11-14H,9-10H2,1-2H3,(H2,27,28,30,31,32)/t12-,13?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279883 (US10028961, Compound 30 | US10028961, Compound 85 ...) Show SMILES C[C@@H](Nc1nc(NC2(CC2)c2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C23H23F3N6/c1-14(15-10-11-15)27-20-29-19(17-8-5-9-18(28-17)23(24,25)26)30-21(31-20)32-22(12-13-22)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3,(H2,27,29,30,31,32)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279857 (BDBM279926 | US10028961, Compound 4 | US10172864, ...) Show SMILES CC(C)(C)Nc1nc(NC(C)(C)C)nc(n1)-c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C17H23F3N6/c1-15(2,3)25-13-22-12(23-14(24-13)26-16(4,5)6)10-8-7-9-11(21-10)17(18,19)20/h7-9H,1-6H3,(H2,22,23,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM279903 (US10028961, Compound 50 | US10172864, Compound 50) Show SMILES C[C@@H](Nc1nc(NC2CCC(F)(F)CC2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C20H23F5N6/c1-11(12-5-6-12)26-17-29-16(14-3-2-4-15(28-14)20(23,24)25)30-18(31-17)27-13-7-9-19(21,22)10-8-13/h2-4,11-13H,5-10H2,1H3,(H2,26,27,29,30,31)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM279886 (US10028961, Compound 33 | US10172864, Compound 33 ...) Show SMILES C[C@H](Nc1nc(N[C@@H](C)C2CC2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C19H23F3N6/c1-10(12-6-7-12)23-17-26-16(14-4-3-5-15(25-14)19(20,21)22)27-18(28-17)24-11(2)13-8-9-13/h3-5,10-13H,6-9H2,1-2H3,(H2,23,24,26,27,28)/t10-,11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM279871 (US10028961, Compound 18 | US10172864, Compound 18 ...) Show SMILES CC(C)[C@@H](C)Nc1nc(N[C@H](C)C(C)C)nc(n1)-c1cccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C19H27F3N6/c1-10(2)12(5)23-17-26-16(27-18(28-17)24-13(6)11(3)4)14-8-7-9-15(25-14)19(20,21)22/h7-13H,1-6H3,(H2,23,24,26,27,28)/t12-,13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM279887 (US10028961, Compound 34 | US10172864, Compound 34 ...) Show SMILES C[C@@H](Nc1nc(N[C@@H](C)C2CC2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C19H23F3N6/c1-10(12-6-7-12)23-17-26-16(14-4-3-5-15(25-14)19(20,21)22)27-18(28-17)24-11(2)13-8-9-13/h3-5,10-13H,6-9H2,1-2H3,(H2,23,24,26,27,28)/t10-,11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM279873 (US10028961, Compound 20 | US10172864, Compound 20) Show SMILES C[C@@H](Nc1nc(N[C@@H](C)c2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C22H23F3N6/c1-13(15-7-4-3-5-8-15)26-20-29-19(17-9-6-10-18(28-17)22(23,24)25)30-21(31-20)27-14(2)16-11-12-16/h3-10,13-14,16H,11-12H2,1-2H3,(H2,26,27,29,30,31)/t13-,14+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM279889 (US10028961, Compound 36 | US10172864, Compound 36 ...) Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CC3CC3C2)nc(NC2CC3CC3C2)n1 Show InChI InChI=1S/C21H23F3N6/c22-21(23,24)17-3-1-2-16(27-17)18-28-19(25-14-6-10-4-11(10)7-14)30-20(29-18)26-15-8-12-5-13(12)9-15/h1-3,10-15H,4-9H2,(H2,25,26,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279890 (US10028961, Compound 37 | US10028961, Compound 87 ...) Show SMILES C[C@@H](Nc1nc(NC(C)(C)C#N)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C18H20F3N7/c1-10(11-7-8-11)23-15-25-14(26-16(27-15)28-17(2,3)9-22)12-5-4-6-13(24-12)18(19,20)21/h4-6,10-11H,7-8H2,1-3H3,(H2,23,25,26,27,28)/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279891 (US10028961, Compound 38 | US10172864, Compound 38 ...) Show SMILES C[C@@H](Nc1nc(NC2CCOC2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C18H21F3N6O/c1-10(11-5-6-11)22-16-25-15(13-3-2-4-14(24-13)18(19,20)21)26-17(27-16)23-12-7-8-28-9-12/h2-4,10-12H,5-9H2,1H3,(H2,22,23,25,26,27)/t10-,12?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM279876 (US10028961, Compound 23 | US10172864, Compound 23 ...) Show SMILES C[C@@H](Nc1nc(N[C@@H]2C[C@H]2c2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C23H23F3N6/c1-13(14-10-11-14)27-21-30-20(17-8-5-9-19(28-17)23(24,25)26)31-22(32-21)29-18-12-16(18)15-6-3-2-4-7-15/h2-9,13-14,16,18H,10-12H2,1H3,(H2,27,29,30,31,32)/t13-,16+,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279893 (US10028961, Compound 40 | US10172864, Compound 40 ...) Show SMILES CC(Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(n1)C(F)(F)F)C#N |r| Show InChI InChI=1S/C17H18F3N7/c1-9(8-21)22-15-25-14(12-4-3-5-13(24-12)17(18,19)20)26-16(27-15)23-10(2)11-6-7-11/h3-5,9-11H,6-7H2,1-2H3,(H2,22,23,25,26,27)/t9?,10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM279893 (US10028961, Compound 40 | US10172864, Compound 40 ...) Show SMILES CC(Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(n1)C(F)(F)F)C#N |r| Show InChI InChI=1S/C17H18F3N7/c1-9(8-21)22-15-25-14(12-4-3-5-13(24-12)17(18,19)20)26-16(27-15)23-10(2)11-6-7-11/h3-5,9-11H,6-7H2,1-2H3,(H2,22,23,25,26,27)/t9?,10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279894 (US10028961, Compound 41 | US10172864, Compound 41 ...) Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(NC2CCC(F)(F)CC2)n1 Show InChI InChI=1S/C21H23F7N6/c22-19(23)8-4-12(5-9-19)29-17-32-16(14-2-1-3-15(31-14)21(26,27)28)33-18(34-17)30-13-6-10-20(24,25)11-7-13/h1-3,12-13H,4-11H2,(H2,29,30,32,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279895 (US10028961, Compound 42 | US10172864, Compound 42 ...) Show SMILES C[C@@H](Nc1nc(N[C@H]2CCCC[C@@H]2O)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C20H25F3N6O/c1-11(12-9-10-12)24-18-27-17(14-6-4-8-16(25-14)20(21,22)23)28-19(29-18)26-13-5-2-3-7-15(13)30/h4,6,8,11-13,15,30H,2-3,5,7,9-10H2,1H3,(H2,24,26,27,28,29)/t11-,13+,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM279892 (US10028961, Compound 39 | US10172864, Compound 39 ...) Show SMILES CCCC(C)Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C19H25F3N6/c1-4-6-11(2)23-17-26-16(14-7-5-8-15(25-14)19(20,21)22)27-18(28-17)24-12(3)13-9-10-13/h5,7-8,11-13H,4,6,9-10H2,1-3H3,(H2,23,24,26,27,28)/t11?,12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM279898 (US10028961, Compound 45 | US10172864, Compound 45 ...) Show SMILES C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(Cl)n1)C1CC1 |r| Show InChI InChI=1S/C18H23ClN6/c1-10(12-6-7-12)20-17-23-16(14-4-3-5-15(19)22-14)24-18(25-17)21-11(2)13-8-9-13/h3-5,10-13H,6-9H2,1-2H3,(H2,20,21,23,24,25)/t10-,11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279857 (BDBM279926 | US10028961, Compound 4 | US10172864, ...) Show SMILES CC(C)(C)Nc1nc(NC(C)(C)C)nc(n1)-c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C17H23F3N6/c1-15(2,3)25-13-22-12(23-14(24-13)26-16(4,5)6)10-8-7-9-11(21-10)17(18,19)20/h7-9H,1-6H3,(H2,22,23,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM279857 (BDBM279926 | US10028961, Compound 4 | US10172864, ...) Show SMILES CC(C)(C)Nc1nc(NC(C)(C)C)nc(n1)-c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C17H23F3N6/c1-15(2,3)25-13-22-12(23-14(24-13)26-16(4,5)6)10-8-7-9-11(21-10)17(18,19)20/h7-9H,1-6H3,(H2,22,23,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM279864 (US10028961, Compound 11 | US10028961, Compound 80 ...) Show SMILES C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(O)c1)C1CC1 |r| Show InChI InChI=1S/C19H25N5O/c1-11(13-6-7-13)20-18-22-17(15-4-3-5-16(25)10-15)23-19(24-18)21-12(2)14-8-9-14/h3-5,10-14,25H,6-9H2,1-2H3,(H2,20,21,22,23,24)/t11-,12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279890 (US10028961, Compound 37 | US10028961, Compound 87 ...) Show SMILES C[C@@H](Nc1nc(NC(C)(C)C#N)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C18H20F3N7/c1-10(11-7-8-11)23-15-25-14(26-16(27-15)28-17(2,3)9-22)12-5-4-6-13(24-12)18(19,20)21/h4-6,10-11H,7-8H2,1-3H3,(H2,23,25,26,27,28)/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM279872 (US10028961, Compound 19 | US10172864, Compound 19 ...) Show SMILES C[C@@H](Nc1nc(N[C@H](C)C2CCC2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CCC1 |r| Show InChI InChI=1S/C21H27F3N6/c1-12(14-6-3-7-14)25-19-28-18(16-10-5-11-17(27-16)21(22,23)24)29-20(30-19)26-13(2)15-8-4-9-15/h5,10-15H,3-4,6-9H2,1-2H3,(H2,25,26,28,29,30)/t12-,13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279872 (US10028961, Compound 19 | US10172864, Compound 19 ...) Show SMILES C[C@@H](Nc1nc(N[C@H](C)C2CCC2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CCC1 |r| Show InChI InChI=1S/C21H27F3N6/c1-12(14-6-3-7-14)25-19-28-18(16-10-5-11-17(27-16)21(22,23)24)29-20(30-19)26-13(2)15-8-4-9-15/h5,10-15H,3-4,6-9H2,1-2H3,(H2,25,26,28,29,30)/t12-,13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM279870 (US10028961, Compound 17 | US10172864, Compound 17 ...) Show SMILES CC(C)[C@H](C)Nc1nc(N[C@@H](C)C(C)C)nc(n1)-c1cccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C19H27F3N6/c1-10(2)12(5)23-17-26-16(27-18(28-17)24-13(6)11(3)4)14-8-7-9-15(25-14)19(20,21)22/h7-13H,1-6H3,(H2,23,24,26,27,28)/t12-,13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279870 (US10028961, Compound 17 | US10172864, Compound 17 ...) Show SMILES CC(C)[C@H](C)Nc1nc(N[C@@H](C)C(C)C)nc(n1)-c1cccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C19H27F3N6/c1-10(2)12(5)23-17-26-16(27-18(28-17)24-13(6)11(3)4)14-8-7-9-15(25-14)19(20,21)22/h7-13H,1-6H3,(H2,23,24,26,27,28)/t12-,13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM279866 (US10028961, Compound 13 | US10172864, Compound 13 ...) Show SMILES CC(C)C(C)Nc1nc(NC(C)C(C)C)nc(n1)-c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C19H27F3N6/c1-10(2)12(5)23-17-26-16(27-18(28-17)24-13(6)11(3)4)14-8-7-9-15(25-14)19(20,21)22/h7-13H,1-6H3,(H2,23,24,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279883 (US10028961, Compound 30 | US10028961, Compound 85 ...) Show SMILES C[C@@H](Nc1nc(NC2(CC2)c2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C23H23F3N6/c1-14(15-10-11-15)27-20-29-19(17-8-5-9-18(28-17)23(24,25)26)30-21(31-20)32-22(12-13-22)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3,(H2,27,29,30,31,32)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM279864 (US10028961, Compound 11 | US10028961, Compound 80 ...) Show SMILES C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(O)c1)C1CC1 |r| Show InChI InChI=1S/C19H25N5O/c1-11(13-6-7-13)20-18-22-17(15-4-3-5-16(25)10-15)23-19(24-18)21-12(2)14-8-9-14/h3-5,10-14,25H,6-9H2,1-2H3,(H2,20,21,22,23,24)/t11-,12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279862 (US10028961, Compound 9 | US10172864, Compound 9 | ...) Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC2)nc(NC2CCC2)n1 Show InChI InChI=1S/C17H19F3N6/c18-17(19,20)13-9-3-8-12(23-13)14-24-15(21-10-4-1-5-10)26-16(25-14)22-11-6-2-7-11/h3,8-11H,1-2,4-7H2,(H2,21,22,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM279857 (BDBM279926 | US10028961, Compound 4 | US10172864, ...) Show SMILES CC(C)(C)Nc1nc(NC(C)(C)C)nc(n1)-c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C17H23F3N6/c1-15(2,3)25-13-22-12(23-14(24-13)26-16(4,5)6)10-8-7-9-11(21-10)17(18,19)20/h7-9H,1-6H3,(H2,22,23,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM279856 (US10028961, Compound 3 | US10172864, Compound 3 | ...) Show SMILES CC(C)Nc1nc(NC(C)C)nc(n1)-c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C15H19F3N6/c1-8(2)19-13-22-12(23-14(24-13)20-9(3)4)10-6-5-7-11(21-10)15(16,17)18/h5-9H,1-4H3,(H2,19,20,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279875 (US10028961, Compound 22 | US10172864, Compound 22 ...) Show SMILES C[C@@H](Nc1nc(N[C@H](C)c2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C22H23F3N6/c1-13(15-7-4-3-5-8-15)26-20-29-19(17-9-6-10-18(28-17)22(23,24)25)30-21(31-20)27-14(2)16-11-12-16/h3-10,13-14,16H,11-12H2,1-2H3,(H2,26,27,29,30,31)/t13-,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279856 (US10028961, Compound 3 | US10172864, Compound 3 | ...) Show SMILES CC(C)Nc1nc(NC(C)C)nc(n1)-c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C15H19F3N6/c1-8(2)19-13-22-12(23-14(24-13)20-9(3)4)10-6-5-7-11(21-10)15(16,17)18/h5-9H,1-4H3,(H2,19,20,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 135 total )  |  Next  |  Last  >>

Jump to: