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SMILES: C[C@@H](Nc1nc(NC(C)c2cccc(F)c2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1

InChI Key: InChIKey=JYVZJECTMOHVFX-PZORYLMUSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 279881   

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] 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	<50	n/a	n/a	n/a	n/a	6.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...				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))	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	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...				US Patent US10172864 (2019) BindingDB Entry DOI: 10.7270/Q2ZK5JQ3
					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	n/a	n/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 US10946023 (2021)
					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	n/a	n/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 US10172864 (2019) BindingDB Entry DOI: 10.7270/Q2ZK5JQ3
					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 antibodypedia 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 In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...				US Patent US10946023 (2021)
					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	n/a	n/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 US10946023 (2021)
					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	n/a	n/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 US10172864 (2019) BindingDB Entry DOI: 10.7270/Q2ZK5JQ3
					More data for this Ligand-Target Pair