BDBM19260 Tiazofurin Adenine Dinucleotide (TAD) Analogue, 30::[({[(2R,3S,4R,5R)-5-{6-amino-2-[(2-phenylethyl)amino]-9H-purin-9-yl}-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid
SMILES: NC(=O)c1csc(n1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)nc(NCCc4ccccc4)nc23)[C@@H](O)[C@H]1O
InChI Key: InChIKey=QLYRXWWSIKZTOZ-JCNQHCNQSA-N
Data: 2 KI
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 Monophosphate Dehydrogenase Type 1 (IMPDH1) (Homo sapiens (Human)) | BDBM19260 (Tiazofurin Adenine Dinucleotide (TAD) Analogue, 30...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 73 | -9.73 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
University of Minnesota at Twin Citiies | Assay Description Inhibition assays were performed in duplicate using two different concentrations of human IMPDH type 1 (87 and 155 nM) and varying concentrations of ... | J Med Chem 50: 5743-5751 (2007) Article DOI: 10.1021/jm070568j BindingDB Entry DOI: 10.7270/Q2RX99CT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2) (Homo sapiens (Human)) | BDBM19260 (Tiazofurin Adenine Dinucleotide (TAD) Analogue, 30...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 255 | -8.99 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
University of Minnesota at Twin Citiies | Assay Description Inhibition assays were performed in duplicate using two different concentrations of human IMPDH type 2 (33 and 66 nM) and varying concentrations of i... | J Med Chem 50: 5743-5751 (2007) Article DOI: 10.1021/jm070568j BindingDB Entry DOI: 10.7270/Q2RX99CT | |||||||||||
More data for this Ligand-Target Pair |