Found 8 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic' and Ligand = 'BDBM50434278' 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)) | BDBM50434278
(CHEMBL2386126)Show InChI InChI=1S/C13H13NO2/c1-10-7-12(14(16)13(15)8-10)9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3 | PDB
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| PDB Article PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of IDH1 R132C mutant (unknown origin) |
Bioorg Med Chem 25: 6379-6387 (2017)
Article DOI: 10.1016/j.bmc.2017.10.009 BindingDB Entry DOI: 10.7270/Q26M39CG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50434278
(CHEMBL2386126)Show InChI InChI=1S/C13H13NO2/c1-10-7-12(14(16)13(15)8-10)9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3 | PDB
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| PDB Article PubMed
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description Inhibition of human IDH1 R132H mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption |
J Med Chem 57: 8307-18 (2014)
Article DOI: 10.1021/jm500660f BindingDB Entry DOI: 10.7270/Q23J3FJR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50434278
(CHEMBL2386126)Show InChI InChI=1S/C13H13NO2/c1-10-7-12(14(16)13(15)8-10)9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3 | PDB
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| PDB Article PubMed
| 1.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description Inhibition of human IDH1 R132C mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption |
J Med Chem 57: 8307-18 (2014)
Article DOI: 10.1021/jm500660f BindingDB Entry DOI: 10.7270/Q23J3FJR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50434278
(CHEMBL2386126)Show InChI InChI=1S/C13H13NO2/c1-10-7-12(14(16)13(15)8-10)9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3 | PDB
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| PDB Article PubMed
| 1.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description Inhibition of wild type IDH1 (unknown origin) expressed in Escherichia coli BL21 using alpha-ketoglutarate as substrate incubated for 5 mins prior to... |
ACS Med Chem Lett 4: 542-546 (2013)
Article DOI: 10.1021/ml400036z BindingDB Entry DOI: 10.7270/Q2T72JS5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50434278
(CHEMBL2386126)Show InChI InChI=1S/C13H13NO2/c1-10-7-12(14(16)13(15)8-10)9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3 | PDB
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CHEMBL MCE PC cid PC sid PDB UniChem
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| PDB Article PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description Inhibition of wild type human IDH1 expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption |
J Med Chem 57: 8307-18 (2014)
Article DOI: 10.1021/jm500660f BindingDB Entry DOI: 10.7270/Q23J3FJR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50434278
(CHEMBL2386126)Show InChI InChI=1S/C13H13NO2/c1-10-7-12(14(16)13(15)8-10)9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3 | PDB
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Similars
| PDB Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal Strep-tagged IDH1 R132C mutant expressed in Escherichia coli BL21(DE3) using alphaKG as substrate preincubated for 30 ... |
Bioorg Med Chem 25: 6379-6387 (2017)
Article DOI: 10.1016/j.bmc.2017.10.009 BindingDB Entry DOI: 10.7270/Q26M39CG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50434278
(CHEMBL2386126)Show InChI InChI=1S/C13H13NO2/c1-10-7-12(14(16)13(15)8-10)9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal Strep-tagged IDH1 R132H mutant expressed in Escherichia coli BL21(DE3) using alphaKG as substrate preincubated for 30 ... |
Bioorg Med Chem 25: 6379-6387 (2017)
Article DOI: 10.1016/j.bmc.2017.10.009 BindingDB Entry DOI: 10.7270/Q26M39CG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50434278
(CHEMBL2386126)Show InChI InChI=1S/C13H13NO2/c1-10-7-12(14(16)13(15)8-10)9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as reduction in D2HG production incubated for 48 hrs by HPLC-MS method |
J Med Chem 57: 8307-18 (2014)
Article DOI: 10.1021/jm500660f BindingDB Entry DOI: 10.7270/Q23J3FJR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |