null

SMILES: FC1(F)CC(C1)NC(=O)C(N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)c1cc(cc(c1)C#N)C#N)c1ccccc1Cl

InChI Key: InChIKey=JVZLOTLFFCFWBA-ALLRNTDFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 363704   

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))	BDBM363704 (US10640534, Compound 191 | US10689414, Compound 19...) Show SMILES FC1(F)CC(C1)NC(=O)C(N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)c1cc(cc(c1)C#N)C#N)c1ccccc1Cl |r| Show InChI InChI=1S/C31H22ClF2N7O3/c32-24-4-2-1-3-23(24)28(29(43)39-21-13-31(33,34)14-21)40(22-10-19(16-36)9-20(11-22)17-37)30(44)25-5-6-27(42)41(25)26-12-18(15-35)7-8-38-26/h1-4,7-12,21,25,28H,5-6,13-14H2,(H,39,43)/t25-,28?/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))	BDBM363704 (US10640534, Compound 191 | US10689414, Compound 19...) Show SMILES FC1(F)CC(C1)NC(=O)C(N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)c1cc(cc(c1)C#N)C#N)c1ccccc1Cl |r| Show InChI InChI=1S/C31H22ClF2N7O3/c32-24-4-2-1-3-23(24)28(29(43)39-21-13-31(33,34)14-21)40(22-10-19(16-36)9-20(11-22)17-37)30(44)25-5-6-27(42)41(25)26-12-18(15-35)7-8-38-26/h1-4,7-12,21,25,28H,5-6,13-14H2,(H,39,43)/t25-,28?/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))	BDBM363704 (US10640534, Compound 191 | US10689414, Compound 19...) Show SMILES FC1(F)CC(C1)NC(=O)C(N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)c1cc(cc(c1)C#N)C#N)c1ccccc1Cl |r| Show InChI InChI=1S/C31H22ClF2N7O3/c32-24-4-2-1-3-23(24)28(29(43)39-21-13-31(33,34)14-21)40(22-10-19(16-36)9-20(11-22)17-37)30(44)25-5-6-27(42)41(25)26-12-18(15-35)7-8-38-26/h1-4,7-12,21,25,28H,5-6,13-14H2,(H,39,43)/t25-,28?/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))	BDBM363704 (US10640534, Compound 191 | US10689414, Compound 19...) Show SMILES FC1(F)CC(C1)NC(=O)C(N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)c1cc(cc(c1)C#N)C#N)c1ccccc1Cl |r| Show InChI InChI=1S/C31H22ClF2N7O3/c32-24-4-2-1-3-23(24)28(29(43)39-21-13-31(33,34)14-21)40(22-10-19(16-36)9-20(11-22)17-37)30(44)25-5-6-27(42)41(25)26-12-18(15-35)7-8-38-26/h1-4,7-12,21,25,28H,5-6,13-14H2,(H,39,43)/t25-,28?/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))	BDBM363704 (US10640534, Compound 191 | US10689414, Compound 19...) Show SMILES FC1(F)CC(C1)NC(=O)C(N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)c1cc(cc(c1)C#N)C#N)c1ccccc1Cl |r| Show InChI InChI=1S/C31H22ClF2N7O3/c32-24-4-2-1-3-23(24)28(29(43)39-21-13-31(33,34)14-21)40(22-10-19(16-36)9-20(11-22)17-37)30(44)25-5-6-27(42)41(25)26-12-18(15-35)7-8-38-26/h1-4,7-12,21,25,28H,5-6,13-14H2,(H,39,43)/t25-,28?/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))	BDBM363704 (US10640534, Compound 191 | US10689414, Compound 19...) Show SMILES FC1(F)CC(C1)NC(=O)C(N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)c1cc(cc(c1)C#N)C#N)c1ccccc1Cl |r| Show InChI InChI=1S/C31H22ClF2N7O3/c32-24-4-2-1-3-23(24)28(29(43)39-21-13-31(33,34)14-21)40(22-10-19(16-36)9-20(11-22)17-37)30(44)25-5-6-27(42)41(25)26-12-18(15-35)7-8-38-26/h1-4,7-12,21,25,28H,5-6,13-14H2,(H,39,43)/t25-,28?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q26T0RMX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM363704 (US10640534, Compound 191 | US10689414, Compound 19...) Show SMILES FC1(F)CC(C1)NC(=O)C(N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)c1cc(cc(c1)C#N)C#N)c1ccccc1Cl |r| Show InChI InChI=1S/C31H22ClF2N7O3/c32-24-4-2-1-3-23(24)28(29(43)39-21-13-31(33,34)14-21)40(22-10-19(16-36)9-20(11-22)17-37)30(44)25-5-6-27(42)41(25)26-12-18(15-35)7-8-38-26/h1-4,7-12,21,25,28H,5-6,13-14H2,(H,39,43)/t25-,28?/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))	BDBM363704 (US10640534, Compound 191 | US10689414, Compound 19...) Show SMILES FC1(F)CC(C1)NC(=O)C(N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)c1cc(cc(c1)C#N)C#N)c1ccccc1Cl |r| Show InChI InChI=1S/C31H22ClF2N7O3/c32-24-4-2-1-3-23(24)28(29(43)39-21-13-31(33,34)14-21)40(22-10-19(16-36)9-20(11-22)17-37)30(44)25-5-6-27(42)41(25)26-12-18(15-35)7-8-38-26/h1-4,7-12,21,25,28H,5-6,13-14H2,(H,39,43)/t25-,28?/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 [R132H] (Homo sapiens (Human))	BDBM363704 (US10640534, Compound 191 | US10689414, Compound 19...) Show SMILES FC1(F)CC(C1)NC(=O)C(N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)c1cc(cc(c1)C#N)C#N)c1ccccc1Cl |r| Show InChI InChI=1S/C31H22ClF2N7O3/c32-24-4-2-1-3-23(24)28(29(43)39-21-13-31(33,34)14-21)40(22-10-19(16-36)9-20(11-22)17-37)30(44)25-5-6-27(42)41(25)26-12-18(15-35)7-8-38-26/h1-4,7-12,21,25,28H,5-6,13-14H2,(H,39,43)/t25-,28?/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 [R132C] (Homo sapiens (Human))	BDBM363704 (US10640534, Compound 191 | US10689414, Compound 19...) Show SMILES FC1(F)CC(C1)NC(=O)C(N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)c1cc(cc(c1)C#N)C#N)c1ccccc1Cl |r| Show InChI InChI=1S/C31H22ClF2N7O3/c32-24-4-2-1-3-23(24)28(29(43)39-21-13-31(33,34)14-21)40(22-10-19(16-36)9-20(11-22)17-37)30(44)25-5-6-27(42)41(25)26-12-18(15-35)7-8-38-26/h1-4,7-12,21,25,28H,5-6,13-14H2,(H,39,43)/t25-,28?/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))	BDBM363704 (US10640534, Compound 191 | US10689414, Compound 19...) Show SMILES FC1(F)CC(C1)NC(=O)C(N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)c1cc(cc(c1)C#N)C#N)c1ccccc1Cl |r| Show InChI InChI=1S/C31H22ClF2N7O3/c32-24-4-2-1-3-23(24)28(29(43)39-21-13-31(33,34)14-21)40(22-10-19(16-36)9-20(11-22)17-37)30(44)25-5-6-27(42)41(25)26-12-18(15-35)7-8-38-26/h1-4,7-12,21,25,28H,5-6,13-14H2,(H,39,43)/t25-,28?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q26T0RMX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM363704 (US10640534, Compound 191 | US10689414, Compound 19...) Show SMILES FC1(F)CC(C1)NC(=O)C(N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)c1cc(cc(c1)C#N)C#N)c1ccccc1Cl |r| Show InChI InChI=1S/C31H22ClF2N7O3/c32-24-4-2-1-3-23(24)28(29(43)39-21-13-31(33,34)14-21)40(22-10-19(16-36)9-20(11-22)17-37)30(44)25-5-6-27(42)41(25)26-12-18(15-35)7-8-38-26/h1-4,7-12,21,25,28H,5-6,13-14H2,(H,39,43)/t25-,28?/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