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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'RNA-directed RNA polymerase' and Ligand = 'BDBM50144949'   
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)
BDBM50144949
PNG
((2R,3R,4R,5R)-2-(2,6-diamino-9H-purin-9-yl)-5-(hyd...)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc12
Show InChI InChI=1S/C11H16N6O4/c1-11(20)6(19)4(2-18)21-9(11)17-3-14-5-7(12)15-10(13)16-8(5)17/h3-4,6,9,18-20H,2H2,1H3,(H4,12,13,15,16)/t4-,6-,9-,11-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV NS5B-mediated RNA synthesis


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50144949
PNG
((2R,3R,4R,5R)-2-(2,6-diamino-9H-purin-9-yl)-5-(hyd...)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc12
Show InChI InChI=1S/C11H16N6O4/c1-11(20)6(19)4(2-18)21-9(11)17-3-14-5-7(12)15-10(13)16-8(5)17/h3-4,6,9,18-20H,2H2,1H3,(H4,12,13,15,16)/t4-,6-,9-,11-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 7.00E+3n/an/an/an/a



Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV RNA replication


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair