null

SMILES: CS(=O)(=O)c1cccc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N

InChI Key: InChIKey=CHSBBVUPZCWOII-BDYUSTAISA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 363614   

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))	BDBM363614 (US10640534, Compound 103 | US10689414, Compound 10...) Show SMILES CS(=O)(=O)c1cccc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N |r| Show InChI InChI=1S/C31H29ClF2N6O5S/c1-46(44,45)22-6-4-5-21(17-22)39(29(43)25-9-10-26(41)40(25)30-36-16-13-20(18-35)38-30)27(23-7-2-3-8-24(23)32)28(42)37-19-11-14-31(33,34)15-12-19/h2-8,13,16-17,19,25,27H,9-12,14-15H2,1H3,(H,37,42)/t25-,27-/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))	BDBM363614 (US10640534, Compound 103 | US10689414, Compound 10...) Show SMILES CS(=O)(=O)c1cccc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N |r| Show InChI InChI=1S/C31H29ClF2N6O5S/c1-46(44,45)22-6-4-5-21(17-22)39(29(43)25-9-10-26(41)40(25)30-36-16-13-20(18-35)38-30)27(23-7-2-3-8-24(23)32)28(42)37-19-11-14-31(33,34)15-12-19/h2-8,13,16-17,19,25,27H,9-12,14-15H2,1H3,(H,37,42)/t25-,27-/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))	BDBM363614 (US10640534, Compound 103 | US10689414, Compound 10...) Show SMILES CS(=O)(=O)c1cccc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N |r| Show InChI InChI=1S/C31H29ClF2N6O5S/c1-46(44,45)22-6-4-5-21(17-22)39(29(43)25-9-10-26(41)40(25)30-36-16-13-20(18-35)38-30)27(23-7-2-3-8-24(23)32)28(42)37-19-11-14-31(33,34)15-12-19/h2-8,13,16-17,19,25,27H,9-12,14-15H2,1H3,(H,37,42)/t25-,27-/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) BindingDB Entry DOI: 10.7270/Q24Q7Z1S
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM363614 (US10640534, Compound 103 | US10689414, Compound 10...) Show SMILES CS(=O)(=O)c1cccc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N |r| Show InChI InChI=1S/C31H29ClF2N6O5S/c1-46(44,45)22-6-4-5-21(17-22)39(29(43)25-9-10-26(41)40(25)30-36-16-13-20(18-35)38-30)27(23-7-2-3-8-24(23)32)28(42)37-19-11-14-31(33,34)15-12-19/h2-8,13,16-17,19,25,27H,9-12,14-15H2,1H3,(H,37,42)/t25-,27-/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) BindingDB Entry DOI: 10.7270/Q24Q7Z1S
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM363614 (US10640534, Compound 103 | US10689414, Compound 10...) Show SMILES CS(=O)(=O)c1cccc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N |r| Show InChI InChI=1S/C31H29ClF2N6O5S/c1-46(44,45)22-6-4-5-21(17-22)39(29(43)25-9-10-26(41)40(25)30-36-16-13-20(18-35)38-30)27(23-7-2-3-8-24(23)32)28(42)37-19-11-14-31(33,34)15-12-19/h2-8,13,16-17,19,25,27H,9-12,14-15H2,1H3,(H,37,42)/t25-,27-/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) BindingDB Entry DOI: 10.7270/Q24J0J8K
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM363614 (US10640534, Compound 103 | US10689414, Compound 10...) Show SMILES CS(=O)(=O)c1cccc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N |r| Show InChI InChI=1S/C31H29ClF2N6O5S/c1-46(44,45)22-6-4-5-21(17-22)39(29(43)25-9-10-26(41)40(25)30-36-16-13-20(18-35)38-30)27(23-7-2-3-8-24(23)32)28(42)37-19-11-14-31(33,34)15-12-19/h2-8,13,16-17,19,25,27H,9-12,14-15H2,1H3,(H,37,42)/t25-,27-/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) BindingDB Entry DOI: 10.7270/Q2HH6P3B
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM363614 (US10640534, Compound 103 | US10689414, Compound 10...) Show SMILES CS(=O)(=O)c1cccc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N |r| Show InChI InChI=1S/C31H29ClF2N6O5S/c1-46(44,45)22-6-4-5-21(17-22)39(29(43)25-9-10-26(41)40(25)30-36-16-13-20(18-35)38-30)27(23-7-2-3-8-24(23)32)28(42)37-19-11-14-31(33,34)15-12-19/h2-8,13,16-17,19,25,27H,9-12,14-15H2,1H3,(H,37,42)/t25-,27-/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) BindingDB Entry DOI: 10.7270/Q2J38WNX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM363614 (US10640534, Compound 103 | US10689414, Compound 10...) Show SMILES CS(=O)(=O)c1cccc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N |r| Show InChI InChI=1S/C31H29ClF2N6O5S/c1-46(44,45)22-6-4-5-21(17-22)39(29(43)25-9-10-26(41)40(25)30-36-16-13-20(18-35)38-30)27(23-7-2-3-8-24(23)32)28(42)37-19-11-14-31(33,34)15-12-19/h2-8,13,16-17,19,25,27H,9-12,14-15H2,1H3,(H,37,42)/t25-,27-/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) BindingDB Entry DOI: 10.7270/Q2J38WNX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM363614 (US10640534, Compound 103 | US10689414, Compound 10...) Show SMILES CS(=O)(=O)c1cccc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N |r| Show InChI InChI=1S/C31H29ClF2N6O5S/c1-46(44,45)22-6-4-5-21(17-22)39(29(43)25-9-10-26(41)40(25)30-36-16-13-20(18-35)38-30)27(23-7-2-3-8-24(23)32)28(42)37-19-11-14-31(33,34)15-12-19/h2-8,13,16-17,19,25,27H,9-12,14-15H2,1H3,(H,37,42)/t25-,27-/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) BindingDB Entry DOI: 10.7270/Q24J0J8K
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM363614 (US10640534, Compound 103 | US10689414, Compound 10...) Show SMILES CS(=O)(=O)c1cccc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N |r| Show InChI InChI=1S/C31H29ClF2N6O5S/c1-46(44,45)22-6-4-5-21(17-22)39(29(43)25-9-10-26(41)40(25)30-36-16-13-20(18-35)38-30)27(23-7-2-3-8-24(23)32)28(42)37-19-11-14-31(33,34)15-12-19/h2-8,13,16-17,19,25,27H,9-12,14-15H2,1H3,(H,37,42)/t25-,27-/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) BindingDB Entry DOI: 10.7270/Q2HH6P3B
					More data for this Ligand-Target Pair