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BDBM50013703 (ADP)[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl trihydrogen diphosphate::5'-Adenosinediphosphate (5'-ADP)::Adenosine diphosphate::Aenosine 5'-Diphosphate::CHEMBL14830::Diphosphoric acid -[5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl] ester::cid_16654696::diPhosphoric acid [5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl] ester

SMILES: Nc1ncnc2n(cnc12)C1OC(COP(O)(=O)OP(O)(O)=O)C(O)C1O

InChI Key: InChIKey=XTWYTFMLZFPYCI-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1681 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50013703   
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
heat shock 70kDa protein 8 isoform 2


(Homo sapiens)
BDBM50013703
PNG
((ADP)[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetra...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)(=O)OP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)
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n/an/a 280n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)