Found 2 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic' and Ligand = 'BDBM50567825' 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)) | BDBM50567825
(CHEMBL4861426)Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNC(C1)C(N)=O |(81.26,-31.34,;79.9,-30.61,;78.59,-31.42,;78.64,-32.95,;77.32,-33.77,;75.97,-33.03,;75.93,-31.49,;74.58,-30.76,;73.26,-31.56,;77.25,-30.69,;77.21,-29.15,;75.88,-28.39,;74.55,-29.16,;73.05,-28.75,;72.65,-27.27,;71.96,-29.84,;75.88,-26.85,;77.21,-26.07,;78.54,-26.85,;79.87,-26.08,;81.28,-26.71,;82.31,-25.57,;81.54,-24.23,;80.04,-24.55,;83.83,-25.73,;84.45,-27.14,;85.98,-27.31,;86.89,-26.07,;88.42,-26.23,;86.26,-24.65,;84.74,-24.49,;78.54,-28.39,;79.87,-29.16,;74.54,-26.08,;73.21,-26.86,;74.54,-24.54,;75.87,-23.77,;75.87,-22.24,;74.54,-21.46,;73.2,-22.24,;73.2,-23.78,;71.87,-21.46,;71.86,-19.92,;70.53,-22.23,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 42 | 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)) | BDBM50567825
(CHEMBL4861426)Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNC(C1)C(N)=O |(81.26,-31.34,;79.9,-30.61,;78.59,-31.42,;78.64,-32.95,;77.32,-33.77,;75.97,-33.03,;75.93,-31.49,;74.58,-30.76,;73.26,-31.56,;77.25,-30.69,;77.21,-29.15,;75.88,-28.39,;74.55,-29.16,;73.05,-28.75,;72.65,-27.27,;71.96,-29.84,;75.88,-26.85,;77.21,-26.07,;78.54,-26.85,;79.87,-26.08,;81.28,-26.71,;82.31,-25.57,;81.54,-24.23,;80.04,-24.55,;83.83,-25.73,;84.45,-27.14,;85.98,-27.31,;86.89,-26.07,;88.42,-26.23,;86.26,-24.65,;84.74,-24.49,;78.54,-28.39,;79.87,-29.16,;74.54,-26.08,;73.21,-26.86,;74.54,-24.54,;75.87,-23.77,;75.87,-22.24,;74.54,-21.46,;73.2,-22.24,;73.2,-23.78,;71.87,-21.46,;71.86,-19.92,;70.53,-22.23,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 94 | 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 | |
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