Found 6 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic' and Ligand = 'BDBM50567834' 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)) | BDBM50567834
(CHEMBL4851468)Show SMILES CCc1ccc(OC)cc1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(73.5,-12.39,;74.81,-11.58,;76.16,-12.32,;76.2,-13.86,;77.56,-14.59,;78.87,-13.78,;80.23,-14.51,;80.28,-16.05,;78.83,-12.25,;77.48,-11.52,;77.44,-9.98,;76.11,-9.22,;74.78,-9.99,;73.28,-9.58,;72.89,-8.09,;72.19,-10.67,;76.11,-7.68,;77.44,-6.9,;78.77,-7.68,;80.1,-6.9,;81.51,-7.54,;82.54,-6.39,;81.78,-5.06,;80.27,-5.37,;84.07,-6.56,;84.69,-7.97,;86.22,-8.14,;87.13,-6.89,;88.66,-7.06,;86.5,-5.48,;84.97,-5.32,;78.77,-9.22,;80.1,-9.99,;74.78,-6.91,;73.45,-7.68,;74.77,-5.37,;76.11,-4.6,;76.11,-3.07,;74.78,-2.3,;73.45,-3.07,;73.44,-4.61,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDH1 R132C mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00019
BindingDB Entry DOI: 10.7270/Q2FF3X3S |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50567834
(CHEMBL4851468)Show SMILES CCc1ccc(OC)cc1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(73.5,-12.39,;74.81,-11.58,;76.16,-12.32,;76.2,-13.86,;77.56,-14.59,;78.87,-13.78,;80.23,-14.51,;80.28,-16.05,;78.83,-12.25,;77.48,-11.52,;77.44,-9.98,;76.11,-9.22,;74.78,-9.99,;73.28,-9.58,;72.89,-8.09,;72.19,-10.67,;76.11,-7.68,;77.44,-6.9,;78.77,-7.68,;80.1,-6.9,;81.51,-7.54,;82.54,-6.39,;81.78,-5.06,;80.27,-5.37,;84.07,-6.56,;84.69,-7.97,;86.22,-8.14,;87.13,-6.89,;88.66,-7.06,;86.5,-5.48,;84.97,-5.32,;78.77,-9.22,;80.1,-9.99,;74.78,-6.91,;73.45,-7.68,;74.77,-5.37,;76.11,-4.6,;76.11,-3.07,;74.78,-2.3,;73.45,-3.07,;73.44,-4.61,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDH1 R132C mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00019
BindingDB Entry DOI: 10.7270/Q2FF3X3S |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50567834
(CHEMBL4851468)Show SMILES CCc1ccc(OC)cc1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(73.5,-12.39,;74.81,-11.58,;76.16,-12.32,;76.2,-13.86,;77.56,-14.59,;78.87,-13.78,;80.23,-14.51,;80.28,-16.05,;78.83,-12.25,;77.48,-11.52,;77.44,-9.98,;76.11,-9.22,;74.78,-9.99,;73.28,-9.58,;72.89,-8.09,;72.19,-10.67,;76.11,-7.68,;77.44,-6.9,;78.77,-7.68,;80.1,-6.9,;81.51,-7.54,;82.54,-6.39,;81.78,-5.06,;80.27,-5.37,;84.07,-6.56,;84.69,-7.97,;86.22,-8.14,;87.13,-6.89,;88.66,-7.06,;86.5,-5.48,;84.97,-5.32,;78.77,-9.22,;80.1,-9.99,;74.78,-6.91,;73.45,-7.68,;74.77,-5.37,;76.11,-4.6,;76.11,-3.07,;74.78,-2.3,;73.45,-3.07,;73.44,-4.61,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 114 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00019
BindingDB Entry DOI: 10.7270/Q2FF3X3S |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50567834
(CHEMBL4851468)Show SMILES CCc1ccc(OC)cc1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(73.5,-12.39,;74.81,-11.58,;76.16,-12.32,;76.2,-13.86,;77.56,-14.59,;78.87,-13.78,;80.23,-14.51,;80.28,-16.05,;78.83,-12.25,;77.48,-11.52,;77.44,-9.98,;76.11,-9.22,;74.78,-9.99,;73.28,-9.58,;72.89,-8.09,;72.19,-10.67,;76.11,-7.68,;77.44,-6.9,;78.77,-7.68,;80.1,-6.9,;81.51,-7.54,;82.54,-6.39,;81.78,-5.06,;80.27,-5.37,;84.07,-6.56,;84.69,-7.97,;86.22,-8.14,;87.13,-6.89,;88.66,-7.06,;86.5,-5.48,;84.97,-5.32,;78.77,-9.22,;80.1,-9.99,;74.78,-6.91,;73.45,-7.68,;74.77,-5.37,;76.11,-4.6,;76.11,-3.07,;74.78,-2.3,;73.45,-3.07,;73.44,-4.61,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00019
BindingDB Entry DOI: 10.7270/Q2FF3X3S |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50567834
(CHEMBL4851468)Show SMILES CCc1ccc(OC)cc1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(73.5,-12.39,;74.81,-11.58,;76.16,-12.32,;76.2,-13.86,;77.56,-14.59,;78.87,-13.78,;80.23,-14.51,;80.28,-16.05,;78.83,-12.25,;77.48,-11.52,;77.44,-9.98,;76.11,-9.22,;74.78,-9.99,;73.28,-9.58,;72.89,-8.09,;72.19,-10.67,;76.11,-7.68,;77.44,-6.9,;78.77,-7.68,;80.1,-6.9,;81.51,-7.54,;82.54,-6.39,;81.78,-5.06,;80.27,-5.37,;84.07,-6.56,;84.69,-7.97,;86.22,-8.14,;87.13,-6.89,;88.66,-7.06,;86.5,-5.48,;84.97,-5.32,;78.77,-9.22,;80.1,-9.99,;74.78,-6.91,;73.45,-7.68,;74.77,-5.37,;76.11,-4.6,;76.11,-3.07,;74.78,-2.3,;73.45,-3.07,;73.44,-4.61,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00019
BindingDB Entry DOI: 10.7270/Q2FF3X3S |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50567834
(CHEMBL4851468)Show SMILES CCc1ccc(OC)cc1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(73.5,-12.39,;74.81,-11.58,;76.16,-12.32,;76.2,-13.86,;77.56,-14.59,;78.87,-13.78,;80.23,-14.51,;80.28,-16.05,;78.83,-12.25,;77.48,-11.52,;77.44,-9.98,;76.11,-9.22,;74.78,-9.99,;73.28,-9.58,;72.89,-8.09,;72.19,-10.67,;76.11,-7.68,;77.44,-6.9,;78.77,-7.68,;80.1,-6.9,;81.51,-7.54,;82.54,-6.39,;81.78,-5.06,;80.27,-5.37,;84.07,-6.56,;84.69,-7.97,;86.22,-8.14,;87.13,-6.89,;88.66,-7.06,;86.5,-5.48,;84.97,-5.32,;78.77,-9.22,;80.1,-9.99,;74.78,-6.91,;73.45,-7.68,;74.77,-5.37,;76.11,-4.6,;76.11,-3.07,;74.78,-2.3,;73.45,-3.07,;73.44,-4.61,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IDH1 R132C mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00019
BindingDB Entry DOI: 10.7270/Q2FF3X3S |
More data for this
Ligand-Target Pair | |
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