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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for drug = Hepsera   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Solute carrier family 22 member 6


(Homo sapiens (Human))
BDBM50001103
PNG
((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...)
Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12
Show InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)
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CHEMBL
MCE
KEGG
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PC cid
PC sid
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Article
PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of 6-Carboxyfluorescein uptake in OAT1-expressing CHO cells


Anal Biochem 283: 49-55 (2000)


Article DOI: 10.1006/abio.2000.4633
BindingDB Entry DOI: 10.7270/Q2DR2ZC6
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase 1


(Homo sapiens (Human))
BDBM50001103
PNG
((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...)
Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12
Show InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)
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CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


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Article
n/an/a 3.20E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli Pyrophosphate Synthetase (PRPP)


Bioorg Med Chem Lett 2: 1483-1488 (1992)


Article DOI: 10.1016/S0960-894X(00)80413-8
BindingDB Entry DOI: 10.7270/Q2SN09FV
More data for this
Ligand-Target Pair