Compile Data Set for Download or QSAR

Found 39 hits with Last Name = 'saada' and Initial = 'v'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465396 (CHEMBL4289465) Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r| Show InChI InChI=1S/C30H24ClF4N5O3/c31-24-4-2-1-3-23(24)28(29(43)38-20-14-30(34,35)15-20)40(22-11-18(32)10-19(33)12-22)27(42)13-21-5-6-26(41)39(21)25-9-17(16-36)7-8-37-25/h1-4,7-12,20-21,28H,5-6,13-15H2,(H,38,43)/t21-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as reduction in 2-hydroxyglutarate production by LC-MS/MS analysis				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465394 (CHEMBL4278793) Show SMILES O[C@H]1C[C@@H](CC(=O)N([C@H](C(=O)NC2CC(F)(F)C2)c2ccccc2Cl)c2cc(F)cc(F)c2)N(C1=O)c1cc(ccn1)C#N |r| Show InChI InChI=1S/C30H24ClF4N5O4/c31-23-4-2-1-3-22(23)27(28(43)38-19-13-30(34,35)14-19)40(20-9-17(32)8-18(33)10-20)26(42)12-21-11-24(41)29(44)39(21)25-7-16(15-36)5-6-37-25/h1-10,19,21,24,27,41H,11-14H2,(H,38,43)/t21-,24-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as reduction in 2-hydroxyglutarate production by LC-MS/MS analysis				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465384 (CHEMBL4282663) Show SMILES Fc1cncc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r| Show InChI InChI=1S/C29H24ClF3N6O3/c30-23-4-2-1-3-22(23)27(28(42)37-19-12-29(32,33)13-19)39(21-10-18(31)15-35-16-21)26(41)11-20-5-6-25(40)38(20)24-9-17(14-34)7-8-36-24/h1-4,7-10,15-16,19-20,27H,5-6,11-13H2,(H,37,42)/t20-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant in human Neurospheres assessed as reduction in 2-hydroxyglutarate production by LC-MS/MS analysis				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465386 (CHEMBL4289061) Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r| Show InChI InChI=1S/C30H25ClF3N5O3/c31-24-7-2-1-6-23(24)28(29(42)37-20-15-30(33,34)16-20)39(21-5-3-4-19(32)13-21)27(41)14-22-8-9-26(40)38(22)25-12-18(17-35)10-11-36-25/h1-7,10-13,20,22,28H,8-9,14-16H2,(H,37,42)/t22-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as reduction in 2-hydroxyglutarate production by LC-MS/MS analysis				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465384 (CHEMBL4282663) Show SMILES Fc1cncc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r| Show InChI InChI=1S/C29H24ClF3N6O3/c30-23-4-2-1-3-22(23)27(28(42)37-19-12-29(32,33)13-19)39(21-10-18(31)15-35-16-21)26(41)11-20-5-6-25(40)38(20)24-9-17(14-34)7-8-36-24/h1-4,7-10,15-16,19-20,27H,5-6,11-13H2,(H,37,42)/t20-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of wild type IDH1/IDH1 R132H mutant heterodimer (unknown origin) after 16 hrs in presence of NADPH by diaphorase/resazurin coupled fluores...				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465396 (CHEMBL4289465) Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r| Show InChI InChI=1S/C30H24ClF4N5O3/c31-24-4-2-1-3-23(24)28(29(43)38-20-14-30(34,35)15-20)40(22-11-18(32)10-19(33)12-22)27(42)13-21-5-6-26(41)39(21)25-9-17(16-36)7-8-37-25/h1-4,7-12,20-21,28H,5-6,13-15H2,(H,38,43)/t21-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in conversion of alpha-KG to D2-HG after 60 mins in presence of NADPH by diaph...				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465388 (CHEMBL4292864) Show SMILES O[C@H]1C[C@@H](CC(=O)N([C@H](C(=O)NC2CC(F)(F)C2)c2ccccc2Cl)c2cc(F)cc(F)c2)N(C1=O)c1nccc(n1)C#N |r| Show InChI InChI=1S/C29H23ClF4N6O4/c30-22-4-2-1-3-21(22)25(26(43)37-18-12-29(33,34)13-18)39(19-8-15(31)7-16(32)9-19)24(42)11-20-10-23(41)27(44)40(20)28-36-6-5-17(14-35)38-28/h1-9,18,20,23,25,41H,10-13H2,(H,37,43)/t20-,23-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in conversion of alpha-KG to D2-HG after 60 mins in presence of NADPH by diaph...				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465384 (CHEMBL4282663) Show SMILES Fc1cncc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r| Show InChI InChI=1S/C29H24ClF3N6O3/c30-23-4-2-1-3-22(23)27(28(42)37-19-12-29(32,33)13-19)39(21-10-18(31)15-35-16-21)26(41)11-20-5-6-25(40)38(20)24-9-17(14-34)7-8-36-24/h1-4,7-10,15-16,19-20,27H,5-6,11-13H2,(H,37,42)/t20-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as reduction in 2-hydroxyglutarate production by LC-MS/MS analysis				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465384 (CHEMBL4282663) Show SMILES Fc1cncc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r| Show InChI InChI=1S/C29H24ClF3N6O3/c30-23-4-2-1-3-22(23)27(28(42)37-19-12-29(32,33)13-19)39(21-10-18(31)15-35-16-21)26(41)11-20-5-6-25(40)38(20)24-9-17(14-34)7-8-36-24/h1-4,7-10,15-16,19-20,27H,5-6,11-13H2,(H,37,42)/t20-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132G mutant (unknown origin)				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465386 (CHEMBL4289061) Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r| Show InChI InChI=1S/C30H25ClF3N5O3/c31-24-7-2-1-6-23(24)28(29(42)37-20-15-30(33,34)16-20)39(21-5-3-4-19(32)13-21)27(41)14-22-8-9-26(40)38(22)25-12-18(17-35)10-11-36-25/h1-7,10-13,20,22,28H,8-9,14-16H2,(H,37,42)/t22-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in conversion of alpha-KG to D2-HG after 60 mins in presence of NADPH by diaph...				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465394 (CHEMBL4278793) Show SMILES O[C@H]1C[C@@H](CC(=O)N([C@H](C(=O)NC2CC(F)(F)C2)c2ccccc2Cl)c2cc(F)cc(F)c2)N(C1=O)c1cc(ccn1)C#N |r| Show InChI InChI=1S/C30H24ClF4N5O4/c31-23-4-2-1-3-22(23)27(28(43)38-19-13-30(34,35)14-19)40(20-9-17(32)8-18(33)10-20)26(42)12-21-11-24(41)29(44)39(21)25-7-16(15-36)5-6-37-25/h1-10,19,21,24,27,41H,11-14H2,(H,38,43)/t21-,24-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in conversion of alpha-KG to D2-HG after 60 mins in presence of NADPH by diaph...				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465389 (CHEMBL4282267) Show SMILES NS(=O)(=O)c1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r| Show InChI InChI=1S/C30H26ClF3N6O5S/c31-24-4-2-1-3-23(24)28(29(43)38-19-14-30(33,34)15-19)40(21-10-18(32)11-22(12-21)46(36,44)45)27(42)13-20-5-6-26(41)39(20)25-9-17(16-35)7-8-37-25/h1-4,7-12,19-20,28H,5-6,13-15H2,(H,38,43)(H2,36,44,45)/t20-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in conversion of alpha-KG to D2-HG after 60 mins in presence of NADPH by diaph...				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465384 (CHEMBL4282663) Show SMILES Fc1cncc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r| Show InChI InChI=1S/C29H24ClF3N6O3/c30-23-4-2-1-3-22(23)27(28(42)37-19-12-29(32,33)13-19)39(21-10-18(31)15-35-16-21)26(41)11-20-5-6-25(40)38(20)24-9-17(14-34)7-8-36-24/h1-4,7-10,15-16,19-20,27H,5-6,11-13H2,(H,37,42)/t20-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132S mutant in human HCCC-9810 cells assessed as reduction in 2-hydroxyglutarate production by LC-MS/MS analysis				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465384 (CHEMBL4282663) Show SMILES Fc1cncc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r| Show InChI InChI=1S/C29H24ClF3N6O3/c30-23-4-2-1-3-22(23)27(28(42)37-19-12-29(32,33)13-19)39(21-10-18(31)15-35-16-21)26(41)11-20-5-6-25(40)38(20)24-9-17(14-34)7-8-36-24/h1-4,7-10,15-16,19-20,27H,5-6,11-13H2,(H,37,42)/t20-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of wild type IDH1/IDH1 R132H mutant heterodimer (unknown origin) after 60 mins in presence of NADPH by diaphorase/resazurin coupled fluore...				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465384 (CHEMBL4282663) Show SMILES Fc1cncc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r| Show InChI InChI=1S/C29H24ClF3N6O3/c30-23-4-2-1-3-22(23)27(28(42)37-19-12-29(32,33)13-19)39(21-10-18(31)15-35-16-21)26(41)11-20-5-6-25(40)38(20)24-9-17(14-34)7-8-36-24/h1-4,7-10,15-16,19-20,27H,5-6,11-13H2,(H,37,42)/t20-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in conversion of alpha-KG to D2-HG after 60 mins in presence of NADPH by diaph...				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465384 (CHEMBL4282663) Show SMILES Fc1cncc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r| Show InChI InChI=1S/C29H24ClF3N6O3/c30-23-4-2-1-3-22(23)27(28(42)37-19-12-29(32,33)13-19)39(21-10-18(31)15-35-16-21)26(41)11-20-5-6-25(40)38(20)24-9-17(14-34)7-8-36-24/h1-4,7-10,15-16,19-20,27H,5-6,11-13H2,(H,37,42)/t20-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132S mutant (unknown origin)				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465384 (CHEMBL4282663) Show SMILES Fc1cncc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r| Show InChI InChI=1S/C29H24ClF3N6O3/c30-23-4-2-1-3-22(23)27(28(42)37-19-12-29(32,33)13-19)39(21-10-18(31)15-35-16-21)26(41)11-20-5-6-25(40)38(20)24-9-17(14-34)7-8-36-24/h1-4,7-10,15-16,19-20,27H,5-6,11-13H2,(H,37,42)/t20-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132C mutant (unknown origin) assessed as reduction in conversion of alpha-KG to D2-HG after 60 mins in presence of NADPH by diaph...				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465389 (CHEMBL4282267) Show SMILES NS(=O)(=O)c1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r| Show InChI InChI=1S/C30H26ClF3N6O5S/c31-24-4-2-1-3-23(24)28(29(43)38-19-14-30(33,34)15-19)40(21-10-18(32)11-22(12-21)46(36,44)45)27(42)13-20-5-6-26(41)39(20)25-9-17(16-35)7-8-37-25/h1-4,7-12,19-20,28H,5-6,13-15H2,(H,38,43)(H2,36,44,45)/t20-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as reduction in 2-hydroxyglutarate production by LC-MS/MS analysis				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465384 (CHEMBL4282663) Show SMILES Fc1cncc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r| Show InChI InChI=1S/C29H24ClF3N6O3/c30-23-4-2-1-3-22(23)27(28(42)37-19-12-29(32,33)13-19)39(21-10-18(31)15-35-16-21)26(41)11-20-5-6-25(40)38(20)24-9-17(14-34)7-8-36-24/h1-4,7-10,15-16,19-20,27H,5-6,11-13H2,(H,37,42)/t20-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132L mutant (unknown origin)				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465384 (CHEMBL4282663) Show SMILES Fc1cncc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r| Show InChI InChI=1S/C29H24ClF3N6O3/c30-23-4-2-1-3-22(23)27(28(42)37-19-12-29(32,33)13-19)39(21-10-18(31)15-35-16-21)26(41)11-20-5-6-25(40)38(20)24-9-17(14-34)7-8-36-24/h1-4,7-10,15-16,19-20,27H,5-6,11-13H2,(H,37,42)/t20-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132C mutant in human COR-L105 cells assessed as reduction in 2-hydroxyglutarate production by LC-MS/MS analysis				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465384 (CHEMBL4282663) Show SMILES Fc1cncc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r| Show InChI InChI=1S/C29H24ClF3N6O3/c30-23-4-2-1-3-22(23)27(28(42)37-19-12-29(32,33)13-19)39(21-10-18(31)15-35-16-21)26(41)11-20-5-6-25(40)38(20)24-9-17(14-34)7-8-36-24/h1-4,7-10,15-16,19-20,27H,5-6,11-13H2,(H,37,42)/t20-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) expressed in human U87MG cells assessed as reduction in 2-hydroxyglutarate production by LC-MS/MS an...				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465384 (CHEMBL4282663) Show SMILES Fc1cncc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r| Show InChI InChI=1S/C29H24ClF3N6O3/c30-23-4-2-1-3-22(23)27(28(42)37-19-12-29(32,33)13-19)39(21-10-18(31)15-35-16-21)26(41)11-20-5-6-25(40)38(20)24-9-17(14-34)7-8-36-24/h1-4,7-10,15-16,19-20,27H,5-6,11-13H2,(H,37,42)/t20-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of wild type IDH1 (unknown origin) using DL-isocitrate as substrate after 16 hrs in presence of NADPH by diaphorase/resazurin coupled fluo...				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465391 (CHEMBL4277931) Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCCN1c1ncccn1 |r| Show InChI InChI=1S/C28H27ClF3N5O2/c29-23-10-2-1-9-22(23)25(26(39)35-19-16-28(31,32)17-19)37(21-7-3-6-18(30)14-21)24(38)15-20-8-4-13-36(20)27-33-11-5-12-34-27/h1-3,5-7,9-12,14,19-20,25H,4,8,13,15-17H2,(H,35,39)/t20-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in conversion of alpha-KG to D2-HG after 60 mins in presence of NADPH by diaph...				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465393 (CHEMBL4281172) Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1cc(F)ccn1 |r| Show InChI InChI=1S/C29H25ClF4N4O3/c30-23-7-2-1-6-22(23)27(28(41)36-19-15-29(33,34)16-19)38(20-5-3-4-17(31)12-20)26(40)14-21-8-9-25(39)37(21)24-13-18(32)10-11-35-24/h1-7,10-13,19,21,27H,8-9,14-16H2,(H,36,41)/t21-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in conversion of alpha-KG to D2-HG after 60 mins in presence of NADPH by diaph...				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465395 (CHEMBL4285854) Show SMILES COC(=O)N1CCC[C@H]1CC(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cccc(F)c1 |r| Show InChI InChI=1S/C26H27ClF3N3O4/c1-37-25(36)32-11-5-8-18(32)13-22(34)33(19-7-4-6-16(28)12-19)23(20-9-2-3-10-21(20)27)24(35)31-17-14-26(29,30)15-17/h2-4,6-7,9-10,12,17-18,23H,5,8,11,13-15H2,1H3,(H,31,35)/t18-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in conversion of alpha-KG to D2-HG after 60 mins in presence of NADPH by diaph...				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465392 (CHEMBL4285677) Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1ncccn1 |r| Show InChI InChI=1S/C28H25ClF3N5O3/c29-22-8-2-1-7-21(22)25(26(40)35-18-15-28(31,32)16-18)36(19-6-3-5-17(30)13-19)24(39)14-20-9-10-23(38)37(20)27-33-11-4-12-34-27/h1-8,11-13,18,20,25H,9-10,14-16H2,(H,35,40)/t20-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in conversion of alpha-KG to D2-HG after 60 mins in presence of NADPH by diaph...				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465385 (CHEMBL4282455) Show SMILES COC(=O)NCC(=O)N([C@H](C(=O)NC1CCCCC1)c1ccccc1C)c1cccc(F)c1 |r| Show InChI InChI=1S/C25H30FN3O4/c1-17-9-6-7-14-21(17)23(24(31)28-19-11-4-3-5-12-19)29(20-13-8-10-18(26)15-20)22(30)16-27-25(32)33-2/h6-10,13-15,19,23H,3-5,11-12,16H2,1-2H3,(H,27,32)(H,28,31)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in conversion of alpha-KG to D2-HG after 60 mins in presence of NADPH by diaph...				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465391 (CHEMBL4277931) Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCCN1c1ncccn1 |r| Show InChI InChI=1S/C28H27ClF3N5O2/c29-23-10-2-1-9-22(23)25(26(39)35-19-16-28(31,32)17-19)37(21-7-3-6-18(30)14-21)24(38)15-20-8-4-13-36(20)27-33-11-5-12-34-27/h1-3,5-7,9-12,14,19-20,25H,4,8,13,15-17H2,(H,35,39)/t20-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as reduction in 2-hydroxyglutarate production by LC-MS/MS analysis				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465393 (CHEMBL4281172) Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1cc(F)ccn1 |r| Show InChI InChI=1S/C29H25ClF4N4O3/c30-23-7-2-1-6-22(23)27(28(41)36-19-15-29(33,34)16-19)38(20-5-3-4-17(31)12-20)26(40)14-21-8-9-25(39)37(21)24-13-18(32)10-11-35-24/h1-7,10-13,19,21,27H,8-9,14-16H2,(H,36,41)/t21-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as reduction in 2-hydroxyglutarate production by LC-MS/MS analysis				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465387 (CHEMBL4289678) Show SMILES Cc1nccn1CC(=O)N([C@H](C(=O)NC1CCCCC1)c1ccccc1C)c1cccc(F)c1 |r| Show InChI InChI=1S/C27H31FN4O2/c1-19-9-6-7-14-24(19)26(27(34)30-22-11-4-3-5-12-22)32(23-13-8-10-21(28)17-23)25(33)18-31-16-15-29-20(31)2/h6-10,13-17,22,26H,3-5,11-12,18H2,1-2H3,(H,30,34)/t26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in conversion of alpha-KG to D2-HG after 60 mins in presence of NADPH by diaph...				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465384 (CHEMBL4282663) Show SMILES Fc1cncc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r| Show InChI InChI=1S/C29H24ClF3N6O3/c30-23-4-2-1-3-22(23)27(28(42)37-19-12-29(32,33)13-19)39(21-10-18(31)15-35-16-21)26(41)11-20-5-6-25(40)38(20)24-9-17(14-34)7-8-36-24/h1-4,7-10,15-16,19-20,27H,5-6,11-13H2,(H,37,42)/t20-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of wild type IDH1 (unknown origin) using DL-isocitrate as substrate after 60 mins in presence of NADPH by diaphorase/resazurin coupled flu...				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465392 (CHEMBL4285677) Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1ncccn1 |r| Show InChI InChI=1S/C28H25ClF3N5O3/c29-22-8-2-1-7-21(22)25(26(40)35-18-15-28(31,32)16-18)36(19-6-3-5-17(30)13-19)24(39)14-20-9-10-23(38)37(20)27-33-11-4-12-34-27/h1-8,11-13,18,20,25H,9-10,14-16H2,(H,35,40)/t20-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as reduction in 2-hydroxyglutarate production by LC-MS/MS analysis				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465385 (CHEMBL4282455) Show SMILES COC(=O)NCC(=O)N([C@H](C(=O)NC1CCCCC1)c1ccccc1C)c1cccc(F)c1 |r| Show InChI InChI=1S/C25H30FN3O4/c1-17-9-6-7-14-21(17)23(24(31)28-19-11-4-3-5-12-19)29(20-13-8-10-18(26)15-20)22(30)16-27-25(32)33-2/h6-10,13-15,19,23H,3-5,11-12,16H2,1-2H3,(H,27,32)(H,28,31)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	155	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as reduction in 2-hydroxyglutarate production by LC-MS/MS analysis				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465390 (CHEMBL4293065) Show SMILES COC(=O)NCC(=O)N([C@H](C(=O)NC1CCCCC1)c1ccccc1Cl)c1cccc(F)c1 |r| Show InChI InChI=1S/C24H27ClFN3O4/c1-33-24(32)27-15-21(30)29(18-11-7-8-16(26)14-18)22(19-12-5-6-13-20(19)25)23(31)28-17-9-3-2-4-10-17/h5-8,11-14,17,22H,2-4,9-10,15H2,1H3,(H,27,32)(H,28,31)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in conversion of alpha-KG to D2-HG after 60 mins in presence of NADPH by diaph...				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465395 (CHEMBL4285854) Show SMILES COC(=O)N1CCC[C@H]1CC(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cccc(F)c1 |r| Show InChI InChI=1S/C26H27ClF3N3O4/c1-37-25(36)32-11-5-8-18(32)13-22(34)33(19-7-4-6-16(28)12-19)23(20-9-2-3-10-21(20)27)24(35)31-17-14-26(29,30)15-17/h2-4,6-7,9-10,12,17-18,23H,5,8,11,13-15H2,1H3,(H,31,35)/t18-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	279	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as reduction in 2-hydroxyglutarate production by LC-MS/MS analysis				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465388 (CHEMBL4292864) Show SMILES O[C@H]1C[C@@H](CC(=O)N([C@H](C(=O)NC2CC(F)(F)C2)c2ccccc2Cl)c2cc(F)cc(F)c2)N(C1=O)c1nccc(n1)C#N |r| Show InChI InChI=1S/C29H23ClF4N6O4/c30-22-4-2-1-3-21(22)25(26(43)37-18-12-29(33,34)13-18)39(19-8-15(31)7-16(32)9-19)24(42)11-20-10-23(41)27(44)40(20)28-36-6-5-17(14-35)38-28/h1-9,18,20,23,25,41H,10-13H2,(H,37,43)/t20-,23-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	297	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as reduction in 2-hydroxyglutarate production by LC-MS/MS analysis				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465387 (CHEMBL4289678) Show SMILES Cc1nccn1CC(=O)N([C@H](C(=O)NC1CCCCC1)c1ccccc1C)c1cccc(F)c1 |r| Show InChI InChI=1S/C27H31FN4O2/c1-19-9-6-7-14-24(19)26(27(34)30-22-11-4-3-5-12-22)32(23-13-8-10-21(28)17-23)25(33)18-31-16-15-29-20(31)2/h6-10,13-17,22,26H,3-5,11-12,18H2,1-2H3,(H,30,34)/t26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	497	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as reduction in 2-hydroxyglutarate production by LC-MS/MS analysis				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465390 (CHEMBL4293065) Show SMILES COC(=O)NCC(=O)N([C@H](C(=O)NC1CCCCC1)c1ccccc1Cl)c1cccc(F)c1 |r| Show InChI InChI=1S/C24H27ClFN3O4/c1-33-24(32)27-15-21(30)29(18-11-7-8-16(26)14-18)22(19-12-5-6-13-20(19)25)23(31)28-17-9-3-2-4-10-17/h5-8,11-14,17,22H,2-4,9-10,15H2,1H3,(H,27,32)(H,28,31)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	605	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as reduction in 2-hydroxyglutarate production by LC-MS/MS analysis				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465397 (CHEMBL4277739) Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1 |r| Show InChI InChI=1S/C24H23ClF3N3O3/c25-19-7-2-1-6-18(19)22(23(34)30-16-12-24(27,28)13-16)31(17-5-3-4-14(26)10-17)21(33)11-15-8-9-20(32)29-15/h1-7,10,15-16,22H,8-9,11-13H2,(H,29,32)(H,30,34)/t15-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in conversion of alpha-KG to D2-HG after 60 mins in presence of NADPH by diaph...				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair