null

SMILES: Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N

InChI Key: InChIKey=BHXJMLXDEUJSGK-UPVQGACJSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 363595   

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 [R132C] (Homo sapiens (Human))	BDBM363595 (US10640534, Compound 86 | US10689414, Compound 86 ...) Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N |r| Show InChI InChI=1S/C28H21ClF4N6O3/c29-21-4-2-1-3-20(21)24(25(41)36-18-12-28(32,33)13-18)38(19-10-15(30)9-16(31)11-19)26(42)22-5-6-23(40)39(22)27-35-8-7-17(14-34)37-27/h1-4,7-11,18,22,24H,5-6,12-13H2,(H,36,41)/t22-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<500	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 US9850277 (2017) BindingDB Entry DOI: 10.7270/Q24170CS
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM363595 (US10640534, Compound 86 | US10689414, Compound 86 ...) Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N |r| Show InChI InChI=1S/C28H21ClF4N6O3/c29-21-4-2-1-3-20(21)24(25(41)36-18-12-28(32,33)13-18)38(19-10-15(30)9-16(31)11-19)26(42)22-5-6-23(40)39(22)27-35-8-7-17(14-34)37-27/h1-4,7-11,18,22,24H,5-6,12-13H2,(H,36,41)/t22-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<500	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 US9850277 (2017) BindingDB Entry DOI: 10.7270/Q24170CS
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM363595 (US10640534, Compound 86 | US10689414, Compound 86 ...) Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N |r| Show InChI InChI=1S/C28H21ClF4N6O3/c29-21-4-2-1-3-20(21)24(25(41)36-18-12-28(32,33)13-18)38(19-10-15(30)9-16(31)11-19)26(42)22-5-6-23(40)39(22)27-35-8-7-17(14-34)37-27/h1-4,7-11,18,22,24H,5-6,12-13H2,(H,36,41)/t22-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	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 US10640534 (2020)
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM363595 (US10640534, Compound 86 | US10689414, Compound 86 ...) Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N |r| Show InChI InChI=1S/C28H21ClF4N6O3/c29-21-4-2-1-3-20(21)24(25(41)36-18-12-28(32,33)13-18)38(19-10-15(30)9-16(31)11-19)26(42)22-5-6-23(40)39(22)27-35-8-7-17(14-34)37-27/h1-4,7-11,18,22,24H,5-6,12-13H2,(H,36,41)/t22-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	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 US10640534 (2020)
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM363595 (US10640534, Compound 86 | US10689414, Compound 86 ...) Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N |r| Show InChI InChI=1S/C28H21ClF4N6O3/c29-21-4-2-1-3-20(21)24(25(41)36-18-12-28(32,33)13-18)38(19-10-15(30)9-16(31)11-19)26(42)22-5-6-23(40)39(22)27-35-8-7-17(14-34)37-27/h1-4,7-11,18,22,24H,5-6,12-13H2,(H,36,41)/t22-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	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 US10689414 (2020)
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM363595 (US10640534, Compound 86 | US10689414, Compound 86 ...) Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N |r| Show InChI InChI=1S/C28H21ClF4N6O3/c29-21-4-2-1-3-20(21)24(25(41)36-18-12-28(32,33)13-18)38(19-10-15(30)9-16(31)11-19)26(42)22-5-6-23(40)39(22)27-35-8-7-17(14-34)37-27/h1-4,7-11,18,22,24H,5-6,12-13H2,(H,36,41)/t22-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent									US Patent US11021515 (2021)
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM363595 (US10640534, Compound 86 | US10689414, Compound 86 ...) Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N |r| Show InChI InChI=1S/C28H21ClF4N6O3/c29-21-4-2-1-3-20(21)24(25(41)36-18-12-28(32,33)13-18)38(19-10-15(30)9-16(31)11-19)26(42)22-5-6-23(40)39(22)27-35-8-7-17(14-34)37-27/h1-4,7-11,18,22,24H,5-6,12-13H2,(H,36,41)/t22-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	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 US10717764 (2020)
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM363595 (US10640534, Compound 86 | US10689414, Compound 86 ...) Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N |r| Show InChI InChI=1S/C28H21ClF4N6O3/c29-21-4-2-1-3-20(21)24(25(41)36-18-12-28(32,33)13-18)38(19-10-15(30)9-16(31)11-19)26(42)22-5-6-23(40)39(22)27-35-8-7-17(14-34)37-27/h1-4,7-11,18,22,24H,5-6,12-13H2,(H,36,41)/t22-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	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 US10717764 (2020)
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM363595 (US10640534, Compound 86 | US10689414, Compound 86 ...) Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N |r| Show InChI InChI=1S/C28H21ClF4N6O3/c29-21-4-2-1-3-20(21)24(25(41)36-18-12-28(32,33)13-18)38(19-10-15(30)9-16(31)11-19)26(42)22-5-6-23(40)39(22)27-35-8-7-17(14-34)37-27/h1-4,7-11,18,22,24H,5-6,12-13H2,(H,36,41)/t22-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	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 US10717764 (2020)
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM363595 (US10640534, Compound 86 | US10689414, Compound 86 ...) Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N |r| Show InChI InChI=1S/C28H21ClF4N6O3/c29-21-4-2-1-3-20(21)24(25(41)36-18-12-28(32,33)13-18)38(19-10-15(30)9-16(31)11-19)26(42)22-5-6-23(40)39(22)27-35-8-7-17(14-34)37-27/h1-4,7-11,18,22,24H,5-6,12-13H2,(H,36,41)/t22-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	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 US10717764 (2020)
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM363595 (US10640534, Compound 86 | US10689414, Compound 86 ...) Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N |r| Show InChI InChI=1S/C28H21ClF4N6O3/c29-21-4-2-1-3-20(21)24(25(41)36-18-12-28(32,33)13-18)38(19-10-15(30)9-16(31)11-19)26(42)22-5-6-23(40)39(22)27-35-8-7-17(14-34)37-27/h1-4,7-11,18,22,24H,5-6,12-13H2,(H,36,41)/t22-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	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 US11021515 (2021)
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM363595 (US10640534, Compound 86 | US10689414, Compound 86 ...) Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N |r| Show InChI InChI=1S/C28H21ClF4N6O3/c29-21-4-2-1-3-20(21)24(25(41)36-18-12-28(32,33)13-18)38(19-10-15(30)9-16(31)11-19)26(42)22-5-6-23(40)39(22)27-35-8-7-17(14-34)37-27/h1-4,7-11,18,22,24H,5-6,12-13H2,(H,36,41)/t22-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	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 US10689414 (2020)
					More data for this Ligand-Target Pair