BDBM119878 SL827::US9073941, 500
SMILES: COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1
InChI Key: InChIKey=HMNYMNWOUAJOIH-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dihydrolipoyl dehydrogenase (Lpd) (Mycobacterium tuberculosis) | BDBM119878 (SL827 | US9073941, 500) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medical College | Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ... | Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Prephenate dehydrogenase TyrA (PDH) (Mycobacterium tuberculosis H37Rv) | BDBM119878 (SL827 | US9073941, 500) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 155 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medical College | Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ... | Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lipoamide Dehydrogenase (Lpd) (Mycobacterium tuberculosis) | BDBM119878 (SL827 | US9073941, 500) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB US Patent | n/a | n/a | 960 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Academia Sinica US Patent | Assay Description The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc... | US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Pyruvate dehydrogenase (PDH) (Mycobacterium tuberculosis) | BDBM119878 (SL827 | US9073941, 500) | UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | 674 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Academia Sinica US Patent | Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (... | US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC | |||||||||||
More data for this Ligand-Target Pair |