Compile Data Set for Download or QSAR

Found 104 hits Enz. Inhib. hit(s) with all data for entry = 50012238   

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], mitochondrial (Homo sapiens (Human))	BDBM50555776 (CHEMBL4753099) Show SMILES FC(F)(F)c1cc2CCCCCCNc3nc(Nc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555769 (CHEMBL4787510) Show SMILES CC1(C)CNc2nc(Nc3cc(CCCCO1)cc(c3)C(F)(F)F)nc(n2)-c1cccc(n1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R172K mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555779 (CHEMBL4800354) Show SMILES FC(F)(F)c1cccc(n1)-c1nc2NCCOCCCCc3cc(Cl)cc(Nc(n2)n1)c3 Show InChI	PDB UniProtKB/SwissProt 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
TBA					Assay Description Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555764 (CHEMBL4796025) Show SMILES FC(F)(F)c1cc2C\C=C\CCCNc3nc(Nc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F |t:8| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555768 (CHEMBL4754521) Show SMILES CC(C)(CNc1nc(Nc2cccc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F)OCC=C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R172K mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555755 (CHEMBL4786020) Show SMILES FC(F)(F)c1cc2Nc3nc(NCCC\C=C/COc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F |c:15| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555764 (CHEMBL4796025) Show SMILES FC(F)(F)c1cc2C\C=C\CCCNc3nc(Nc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F |t:8| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R172K mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555770 (CHEMBL4762400) Show SMILES CC1CNc2nc(Nc3cc(CCCCO1)cc(c3)C(F)(F)F)nc(n2)-c1cccc(n1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R172K mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555775 (CHEMBL4753744) Show SMILES FC(F)(F)c1cc2Nc3nc(NCC\C=C/COc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F |c:14| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555759 (CHEMBL4783076) Show SMILES Fc1cc2CCCCOCCNc3nc(Nc(c1)c2)nc(n3)-c1cccc(n1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt 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
TBA					Assay Description Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555756 (CHEMBL4782070) Show SMILES FC(F)(F)c1cc2CCCCCCCNc3nc(Nc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555766 (CHEMBL4746278) Show SMILES Cc1cc2CCCCOCCNc3nc(Nc(c1)c2)nc(n3)-c1cccc(n1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555772 (CHEMBL4756154) Show SMILES CC(C)(O)CNc1nc(Nc2cccc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555765 (CHEMBL4756939) Show SMILES CC1(C)CNc2nc(Nc3cc(OCCCO1)cc(c3)C(F)(F)F)nc(n2)-c1cccc(n1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R172K mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555782 (CHEMBL4750012) Show SMILES Fc1cc2C\C=C/COCCNc3nc(Nc(c1)c2)nc(n3)-c1cccc(n1)C(F)(F)F |c:5| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555756 (CHEMBL4782070) Show SMILES FC(F)(F)c1cc2CCCCCCCNc3nc(Nc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R172K mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555768 (CHEMBL4754521) Show SMILES CC(C)(CNc1nc(Nc2cccc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F)OCC=C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES CC(C)(O)CNc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C19H17F6N7O/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555783 (CHEMBL4790341) Show SMILES FC(F)(F)c1cccc(n1)-c1nc2NCCOC\C=C/Cc3cc(Cl)cc(Nc(n2)n1)c3 |c:19| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555762 (CHEMBL4739900) Show SMILES FC(F)(F)c1cc2CCCCCCCCNc3nc(Nc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555757 (CHEMBL4781074) Show SMILES FC(F)(F)c1cc2C\C=C\CCCCCNc3nc(Nc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F |t:8| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555784 (CHEMBL4779519) Show SMILES Cc1cc2C\C=C/COCCNc3nc(Nc(c1)c2)nc(n3)-c1cccc(n1)C(F)(F)F |c:5| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555777 (CHEMBL4751821) Show SMILES FC(F)(F)c1cc2C\C=C\CCCCNc3nc(Nc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F |t:8| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555769 (CHEMBL4787510) Show SMILES CC1(C)CNc2nc(Nc3cc(CCCCO1)cc(c3)C(F)(F)F)nc(n2)-c1cccc(n1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555767 (CHEMBL4793173) Show SMILES FC(F)(F)c1cc2C\C=C/COCCNc3nc(Nc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F |c:8| Show InChI	PDB UniProtKB/SwissProt 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
TBA					Assay Description Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555770 (CHEMBL4762400) Show SMILES CC1CNc2nc(Nc3cc(CCCCO1)cc(c3)C(F)(F)F)nc(n2)-c1cccc(n1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt 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
TBA					Assay Description Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555785 (CHEMBL4793042) Show SMILES FC(F)(F)c1cc2Nc3nc(NCCCCCCOc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt 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
TBA					Assay Description Inhibition of IDH2 R172K mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555780 (CHEMBL4761041) Show SMILES CC(C)(CNc1nc(Nc2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F)OCC=C Show InChI	PDB UniProtKB/SwissProt 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
TBA					Assay Description Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555777 (CHEMBL4751821) Show SMILES FC(F)(F)c1cc2C\C=C\CCCCNc3nc(Nc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F |t:8| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R172K mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555755 (CHEMBL4786020) Show SMILES FC(F)(F)c1cc2Nc3nc(NCCC\C=C/COc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F |c:15| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R172K mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555761 (CHEMBL4786533) Show SMILES FC(F)(F)c1cc2Nc3nc(NCCCCCOc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555776 (CHEMBL4753099) Show SMILES FC(F)(F)c1cc2CCCCCCNc3nc(Nc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555781 (CHEMBL4784873) Show SMILES FC(F)(F)c1cc2CCCCOCCNc3nc(Nc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555765 (CHEMBL4756939) Show SMILES CC1(C)CNc2nc(Nc3cc(OCCCO1)cc(c3)C(F)(F)F)nc(n2)-c1cccc(n1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555776 (CHEMBL4753099) Show SMILES FC(F)(F)c1cc2CCCCCCNc3nc(Nc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R172K mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555757 (CHEMBL4781074) Show SMILES FC(F)(F)c1cc2C\C=C\CCCCCNc3nc(Nc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F |t:8| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R172K mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555773 (CHEMBL4790929) Show SMILES CC(C)(O)CNc1nc(Nc2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555786 (CHEMBL4782130) Show SMILES FC(F)(F)c1cc2Nc3nc(NCCCCCOC(=O)c(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555761 (CHEMBL4786533) Show SMILES FC(F)(F)c1cc2Nc3nc(NCCCCCOc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R172K mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555772 (CHEMBL4756154) Show SMILES CC(C)(O)CNc1nc(Nc2cccc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R172K mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES CC(C)(O)CNc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C19H17F6N7O/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	124	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555762 (CHEMBL4739900) Show SMILES FC(F)(F)c1cc2CCCCCCCCNc3nc(Nc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R172K mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555785 (CHEMBL4793042) Show SMILES FC(F)(F)c1cc2Nc3nc(NCCCCCCOc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555780 (CHEMBL4761041) Show SMILES CC(C)(CNc1nc(Nc2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F)OCC=C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	167	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R172K mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555778 (CHEMBL4748664) Show SMILES CC1(C)CCNc2nc(Nc3cc(CCCCO1)cc(c3)C(F)(F)F)nc(n2)-c1cccc(n1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	182	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555767 (CHEMBL4793173) Show SMILES FC(F)(F)c1cc2C\C=C/COCCNc3nc(Nc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F |c:8| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R172K mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555776 (CHEMBL4753099) Show SMILES FC(F)(F)c1cc2CCCCCCNc3nc(Nc(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	219	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R172K mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555760 (CHEMBL4748497) Show SMILES CC1CNc2nc(Nc3cc(C\C=C/CO1)cc(c3)C(F)(F)F)nc(n2)-c1cccc(n1)C(F)(F)F |c:12| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	267	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50503251 (AG-221 | Ag 221 | CC-90007 Free Base | Enasidenib ...) Show SMILES CC(C)(O)CNc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C19H17F6N7O/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	269	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R172K mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50555786 (CHEMBL4782130) Show SMILES FC(F)(F)c1cc2Nc3nc(NCCCCCOC(=O)c(c2)c1)nc(n3)-c1cccc(n1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	314	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH2 R172K mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112491 BindingDB Entry DOI: 10.7270/Q2WS8XXX
					More data for this Ligand-Target Pair

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