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BDBM19259 Tiazofurin Adenine Dinucleotide (TAD) Analogue, 29::[({[(2R,3S,4R,5R)-5-[6-amino-2-(benzylamino)-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(NCc4ccccc4)nc23)[C@@H](O)[C@H]1O

InChI Key: InChIKey=SVNOLUZFFOUIBF-ZBYKBKPVNA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 19259   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (Human))
BDBM19259
PNG
(Tiazofurin Adenine Dinucleotide (TAD) Analogue, 29...)
Show 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(NCc4ccccc4)nc23)[C@@H](O)[C@H]1O
Show InChI InChI=1/C26H32N8O14P2S/c27-21-15-23(33-26(32-21)29-6-11-4-2-1-3-5-11)34(10-30-15)25-19(38)17(36)14(47-25)8-45-50(42,43)48-49(40,41)44-7-13-16(35)18(37)20(46-13)24-31-12(9-51-24)22(28)39/h1-5,9-10,13-14,16-20,25,35-38H,6-8H2,(H2,28,39)(H,40,41)(H,42,43)(H3,27,29,32,33)/t13-,14-,16-,17-,18-,19-,20-,25-/s2
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PC cid
PC sid
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Similars

Article
PubMed
45 -10.0n/an/an/an/an/a8.025



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))
BDBM19259
PNG
(Tiazofurin Adenine Dinucleotide (TAD) Analogue, 29...)
Show 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(NCc4ccccc4)nc23)[C@@H](O)[C@H]1O
Show InChI InChI=1/C26H32N8O14P2S/c27-21-15-23(33-26(32-21)29-6-11-4-2-1-3-5-11)34(10-30-15)25-19(38)17(36)14(47-25)8-45-50(42,43)48-49(40,41)44-7-13-16(35)18(37)20(46-13)24-31-12(9-51-24)22(28)39/h1-5,9-10,13-14,16-20,25,35-38H,6-8H2,(H2,28,39)(H,40,41)(H,42,43)(H3,27,29,32,33)/t13-,14-,16-,17-,18-,19-,20-,25-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
169 -9.23n/an/an/an/an/a8.025



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