BDBM50420474 CHEMBL2086889::US9073941, 607
SMILES: CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(OC)cc1
InChI Key: InChIKey=OYEOXFZRVNDRKZ-UHFFFAOYSA-N
Data: 6 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Lipoamide Dehydrogenase (Lpd) (Mycobacterium tuberculosis) | BDBM50420474 (CHEMBL2086889 | US9073941, 607) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 60 | 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 | |||||||||||||
Pyruvate dehydrogenase (PDH) (Mycobacterium tuberculosis) | BDBM50420474 (CHEMBL2086889 | US9073941, 607) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | <40 | 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 | |||||||||||||
Protein-glutamine gamma-glutamyltransferase 2 (TG2) (Homo sapiens (Human)) | BDBM50420474 (CHEMBL2086889 | US9073941, 607) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd. Curated by ChEMBL | Assay Description Inhibition of human recombinant TG2 by fluorescent transamidation assay | J Med Chem 55: 1021-46 (2012) Article DOI: 10.1021/jm201310y BindingDB Entry DOI: 10.7270/Q2CN7560 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transglutaminase-1 (TG1) (Homo sapiens (Human)) | BDBM50420474 (CHEMBL2086889 | US9073941, 607) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd. Curated by ChEMBL | Assay Description Inhibition of human recombinant TG1 by fluorescent transamidation assay | J Med Chem 55: 1021-46 (2012) Article DOI: 10.1021/jm201310y BindingDB Entry DOI: 10.7270/Q2CN7560 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transglutaminase-3 (TG3) (Homo sapiens (Human)) | BDBM50420474 (CHEMBL2086889 | US9073941, 607) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd. Curated by ChEMBL | Assay Description Inhibition of thrombin activated human TG3 by fluorescent transamidation assay | J Med Chem 55: 1021-46 (2012) Article DOI: 10.1021/jm201310y BindingDB Entry DOI: 10.7270/Q2CN7560 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-3 (Homo sapiens (Human)) | BDBM50420474 (CHEMBL2086889 | US9073941, 607) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd. Curated by ChEMBL | Assay Description Inhibition of caspase3 | J Med Chem 55: 1021-46 (2012) Article DOI: 10.1021/jm201310y BindingDB Entry DOI: 10.7270/Q2CN7560 | |||||||||||
More data for this Ligand-Target Pair |