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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for entry = 50006609   
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
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50495952
PNG
(CHEMBL3121489)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@]11CCO1 |r|
Show InChI InChI=1S/C11H17N2O15P3/c14-7-1-3-13(10(16)12-7)9-11(2-4-24-11)8(15)6(26-9)5-25-30(20,21)28-31(22,23)27-29(17,18)19/h1,3,6,8-9,15H,2,4-5H2,(H,20,21)(H,22,23)(H,12,14,16)(H2,17,18,19)/t6-,8-,9-,11-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
130n/an/an/an/an/an/an/an/a



Janssen Infectious Diseases - Diagnostics BVBA

Curated by ChEMBL


Assay Description
Inhibition of HCV RNA polymerase


J Med Chem 59: 5790-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00382
BindingDB Entry DOI: 10.7270/Q2JM2DN1
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50495952
PNG
(CHEMBL3121489)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@]11CCO1 |r|
Show InChI InChI=1S/C11H17N2O15P3/c14-7-1-3-13(10(16)12-7)9-11(2-4-24-11)8(15)6(26-9)5-25-30(20,21)28-31(22,23)27-29(17,18)19/h1,3,6,8-9,15H,2,4-5H2,(H,20,21)(H,22,23)(H,12,14,16)(H2,17,18,19)/t6-,8-,9-,11-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Janssen Infectious Diseases - Diagnostics BVBA

Curated by ChEMBL


Assay Description
Inhibition of HCV RNA polymerase


J Med Chem 59: 5790-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00382
BindingDB Entry DOI: 10.7270/Q2JM2DN1
More data for this
Ligand-Target Pair