BDBM50100980 CHEMBL2178617
SMILES: C\C(=N/O)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Cl)c(c1)C(N)=O
InChI Key: InChIKey=NRJRCKIOCQMNMC-BHGWPJFGSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Inosine-5'-monophosphate dehydrogenase (Bacillus anthracis) | BDBM50100980 (CHEMBL2178617) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University Curated by ChEMBL | Assay Description Non-competitive inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before IMP substrate addition by spectrophotometry | ACS Med Chem Lett 5: 846-50 (2014) Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Inosine-5'-monophosphate dehydrogenase, probable (Cryptosporidium parvum) | BDBM50100980 (CHEMBL2178617) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University Curated by ChEMBL | Assay Description Un-competitive inhibition of Cryptosporidium IMPDH preincubated for 10 mins before IMP substrate addition by spectrophotometry | ACS Med Chem Lett 5: 846-50 (2014) Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Inosine-5'-monophosphate dehydrogenase, probable (Cryptosporidium parvum) | BDBM50100980 (CHEMBL2178617) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University Curated by ChEMBL | Assay Description Non-competitive inhibition of Cryptosporidium IMPDH preincubated for 10 mins before NAD+ substrate addition by spectrophotometry | ACS Med Chem Lett 5: 846-50 (2014) Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Inosine-5'-monophosphate dehydrogenase (Bacillus anthracis) | BDBM50100980 (CHEMBL2178617) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University Curated by ChEMBL | Assay Description Non-competitive inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before NAD+ substrate addition by spectrophotometry | ACS Med Chem Lett 5: 846-50 (2014) Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |