null

SMILES: Fc1cccc(c1)N([C@@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCCC(=O)N1c1cc(ccn1)C#N

InChI Key: InChIKey=HVUAKFIZNPTSGN-RPLLCQBOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 363564   

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))	BDBM363564 (US10689414, Compound 54 | US10717764, Compound 54 ...) Show SMILES Fc1cccc(c1)N([C@@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCCC(=O)N1c1cc(ccn1)C#N |r| Show InChI InChI=1S/C30H25ClF3N5O3/c31-23-8-2-1-7-22(23)27(28(41)37-20-15-30(33,34)16-20)38(21-6-3-5-19(32)14-21)29(42)24-9-4-10-26(40)39(24)25-13-18(17-35)11-12-36-25/h1-3,5-8,11-14,20,24,27H,4,9-10,15-16H2,(H,37,41)/t24-,27+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.75E+3	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))	BDBM363564 (US10689414, Compound 54 | US10717764, Compound 54 ...) Show SMILES Fc1cccc(c1)N([C@@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCCC(=O)N1c1cc(ccn1)C#N |r| Show InChI InChI=1S/C30H25ClF3N5O3/c31-23-8-2-1-7-22(23)27(28(41)37-20-15-30(33,34)16-20)38(21-6-3-5-19(32)14-21)29(42)24-9-4-10-26(40)39(24)25-13-18(17-35)11-12-36-25/h1-3,5-8,11-14,20,24,27H,4,9-10,15-16H2,(H,37,41)/t24-,27+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.75E+3	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))	BDBM363564 (US10689414, Compound 54 | US10717764, Compound 54 ...) Show SMILES Fc1cccc(c1)N([C@@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCCC(=O)N1c1cc(ccn1)C#N |r| Show InChI InChI=1S/C30H25ClF3N5O3/c31-23-8-2-1-7-22(23)27(28(41)37-20-15-30(33,34)16-20)38(21-6-3-5-19(32)14-21)29(42)24-9-4-10-26(40)39(24)25-13-18(17-35)11-12-36-25/h1-3,5-8,11-14,20,24,27H,4,9-10,15-16H2,(H,37,41)/t24-,27+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	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) BindingDB Entry DOI: 10.7270/Q2HH6P3B
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM363564 (US10689414, Compound 54 | US10717764, Compound 54 ...) Show SMILES Fc1cccc(c1)N([C@@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCCC(=O)N1c1cc(ccn1)C#N |r| Show InChI InChI=1S/C30H25ClF3N5O3/c31-23-8-2-1-7-22(23)27(28(41)37-20-15-30(33,34)16-20)38(21-6-3-5-19(32)14-21)29(42)24-9-4-10-26(40)39(24)25-13-18(17-35)11-12-36-25/h1-3,5-8,11-14,20,24,27H,4,9-10,15-16H2,(H,37,41)/t24-,27+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent									US Patent US11021515 (2021) BindingDB Entry DOI: 10.7270/Q24J0J8K
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM363564 (US10689414, Compound 54 | US10717764, Compound 54 ...) Show SMILES Fc1cccc(c1)N([C@@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCCC(=O)N1c1cc(ccn1)C#N |r| Show InChI InChI=1S/C30H25ClF3N5O3/c31-23-8-2-1-7-22(23)27(28(41)37-20-15-30(33,34)16-20)38(21-6-3-5-19(32)14-21)29(42)24-9-4-10-26(40)39(24)25-13-18(17-35)11-12-36-25/h1-3,5-8,11-14,20,24,27H,4,9-10,15-16H2,(H,37,41)/t24-,27+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	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) BindingDB Entry DOI: 10.7270/Q2J38WNX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM363564 (US10689414, Compound 54 | US10717764, Compound 54 ...) Show SMILES Fc1cccc(c1)N([C@@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCCC(=O)N1c1cc(ccn1)C#N |r| Show InChI InChI=1S/C30H25ClF3N5O3/c31-23-8-2-1-7-22(23)27(28(41)37-20-15-30(33,34)16-20)38(21-6-3-5-19(32)14-21)29(42)24-9-4-10-26(40)39(24)25-13-18(17-35)11-12-36-25/h1-3,5-8,11-14,20,24,27H,4,9-10,15-16H2,(H,37,41)/t24-,27+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	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) BindingDB Entry DOI: 10.7270/Q2J38WNX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM363564 (US10689414, Compound 54 | US10717764, Compound 54 ...) Show SMILES Fc1cccc(c1)N([C@@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCCC(=O)N1c1cc(ccn1)C#N |r| Show InChI InChI=1S/C30H25ClF3N5O3/c31-23-8-2-1-7-22(23)27(28(41)37-20-15-30(33,34)16-20)38(21-6-3-5-19(32)14-21)29(42)24-9-4-10-26(40)39(24)25-13-18(17-35)11-12-36-25/h1-3,5-8,11-14,20,24,27H,4,9-10,15-16H2,(H,37,41)/t24-,27+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	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) BindingDB Entry DOI: 10.7270/Q24J0J8K
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM363564 (US10689414, Compound 54 | US10717764, Compound 54 ...) Show SMILES Fc1cccc(c1)N([C@@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCCC(=O)N1c1cc(ccn1)C#N |r| Show InChI InChI=1S/C30H25ClF3N5O3/c31-23-8-2-1-7-22(23)27(28(41)37-20-15-30(33,34)16-20)38(21-6-3-5-19(32)14-21)29(42)24-9-4-10-26(40)39(24)25-13-18(17-35)11-12-36-25/h1-3,5-8,11-14,20,24,27H,4,9-10,15-16H2,(H,37,41)/t24-,27+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	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) BindingDB Entry DOI: 10.7270/Q2HH6P3B
					More data for this Ligand-Target Pair