null

SMILES: O[C@@H]1C[C@H](N(C1=O)c1cc(ccn1)C#N)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cc(F)cc(F)c1

InChI Key: InChIKey=CEYKEKGDKNZKJE-ARNLJNQMSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 363626   

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))	BDBM363626 (US10640534, Compound 115 | US10689414, Compound 11...) Show SMILES O[C@@H]1C[C@H](N(C1=O)c1cc(ccn1)C#N)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C29H22ClF4N5O4/c30-21-4-2-1-3-20(21)25(26(41)37-18-12-29(33,34)13-18)38(19-9-16(31)8-17(32)10-19)27(42)22-11-23(40)28(43)39(22)24-7-15(14-35)5-6-36-24/h1-10,18,22-23,25,40H,11-13H2,(H,37,41)/t22-,23+,25-/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))	BDBM363626 (US10640534, Compound 115 | US10689414, Compound 11...) Show SMILES O[C@@H]1C[C@H](N(C1=O)c1cc(ccn1)C#N)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C29H22ClF4N5O4/c30-21-4-2-1-3-20(21)25(26(41)37-18-12-29(33,34)13-18)38(19-9-16(31)8-17(32)10-19)27(42)22-11-23(40)28(43)39(22)24-7-15(14-35)5-6-36-24/h1-10,18,22-23,25,40H,11-13H2,(H,37,41)/t22-,23+,25-/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))	BDBM363626 (US10640534, Compound 115 | US10689414, Compound 11...) Show SMILES O[C@@H]1C[C@H](N(C1=O)c1cc(ccn1)C#N)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C29H22ClF4N5O4/c30-21-4-2-1-3-20(21)25(26(41)37-18-12-29(33,34)13-18)38(19-9-16(31)8-17(32)10-19)27(42)22-11-23(40)28(43)39(22)24-7-15(14-35)5-6-36-24/h1-10,18,22-23,25,40H,11-13H2,(H,37,41)/t22-,23+,25-/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))	BDBM363626 (US10640534, Compound 115 | US10689414, Compound 11...) Show SMILES O[C@@H]1C[C@H](N(C1=O)c1cc(ccn1)C#N)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C29H22ClF4N5O4/c30-21-4-2-1-3-20(21)25(26(41)37-18-12-29(33,34)13-18)38(19-9-16(31)8-17(32)10-19)27(42)22-11-23(40)28(43)39(22)24-7-15(14-35)5-6-36-24/h1-10,18,22-23,25,40H,11-13H2,(H,37,41)/t22-,23+,25-/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))	BDBM363626 (US10640534, Compound 115 | US10689414, Compound 11...) Show SMILES O[C@@H]1C[C@H](N(C1=O)c1cc(ccn1)C#N)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C29H22ClF4N5O4/c30-21-4-2-1-3-20(21)25(26(41)37-18-12-29(33,34)13-18)38(19-9-16(31)8-17(32)10-19)27(42)22-11-23(40)28(43)39(22)24-7-15(14-35)5-6-36-24/h1-10,18,22-23,25,40H,11-13H2,(H,37,41)/t22-,23+,25-/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))	BDBM363626 (US10640534, Compound 115 | US10689414, Compound 11...) Show SMILES O[C@@H]1C[C@H](N(C1=O)c1cc(ccn1)C#N)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C29H22ClF4N5O4/c30-21-4-2-1-3-20(21)25(26(41)37-18-12-29(33,34)13-18)38(19-9-16(31)8-17(32)10-19)27(42)22-11-23(40)28(43)39(22)24-7-15(14-35)5-6-36-24/h1-10,18,22-23,25,40H,11-13H2,(H,37,41)/t22-,23+,25-/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))	BDBM363626 (US10640534, Compound 115 | US10689414, Compound 11...) Show SMILES O[C@@H]1C[C@H](N(C1=O)c1cc(ccn1)C#N)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C29H22ClF4N5O4/c30-21-4-2-1-3-20(21)25(26(41)37-18-12-29(33,34)13-18)38(19-9-16(31)8-17(32)10-19)27(42)22-11-23(40)28(43)39(22)24-7-15(14-35)5-6-36-24/h1-10,18,22-23,25,40H,11-13H2,(H,37,41)/t22-,23+,25-/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))	BDBM363626 (US10640534, Compound 115 | US10689414, Compound 11...) Show SMILES O[C@@H]1C[C@H](N(C1=O)c1cc(ccn1)C#N)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C29H22ClF4N5O4/c30-21-4-2-1-3-20(21)25(26(41)37-18-12-29(33,34)13-18)38(19-9-16(31)8-17(32)10-19)27(42)22-11-23(40)28(43)39(22)24-7-15(14-35)5-6-36-24/h1-10,18,22-23,25,40H,11-13H2,(H,37,41)/t22-,23+,25-/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))	BDBM363626 (US10640534, Compound 115 | US10689414, Compound 11...) Show SMILES O[C@@H]1C[C@H](N(C1=O)c1cc(ccn1)C#N)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C29H22ClF4N5O4/c30-21-4-2-1-3-20(21)25(26(41)37-18-12-29(33,34)13-18)38(19-9-16(31)8-17(32)10-19)27(42)22-11-23(40)28(43)39(22)24-7-15(14-35)5-6-36-24/h1-10,18,22-23,25,40H,11-13H2,(H,37,41)/t22-,23+,25-/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))	BDBM363626 (US10640534, Compound 115 | US10689414, Compound 11...) Show SMILES O[C@@H]1C[C@H](N(C1=O)c1cc(ccn1)C#N)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C29H22ClF4N5O4/c30-21-4-2-1-3-20(21)25(26(41)37-18-12-29(33,34)13-18)38(19-9-16(31)8-17(32)10-19)27(42)22-11-23(40)28(43)39(22)24-7-15(14-35)5-6-36-24/h1-10,18,22-23,25,40H,11-13H2,(H,37,41)/t22-,23+,25-/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