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Compile Data Set for Download or QSAR

Found 2 hits of ec50 for monomerid = 50181559   
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)
BDBM50181559
PNG
(1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-2H-1,2,4-BEN...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(CCC2CC2)c2ccc(F)cc12 |t:3|
Show InChI InChI=1S/C21H18FN3O4S/c22-13-7-8-16-14(11-13)19(26)18(21(27)25(16)10-9-12-5-6-12)20-23-15-3-1-2-4-17(15)30(28,29)24-20/h1-4,7-8,11-12,26H,5-6,9-10H2,(H,23,24)
PDB

UniProtKB/TrEMBL

B.MOAD
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CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

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Similars

Article
PubMed
n/an/an/an/a 38n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of HCV RNA replication in Huh7 cells


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))
BDBM50181559
PNG
(1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-2H-1,2,4-BEN...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(CCC2CC2)c2ccc(F)cc12 |t:3|
Show InChI InChI=1S/C21H18FN3O4S/c22-13-7-8-16-14(11-13)19(26)18(21(27)25(16)10-9-12-5-6-12)20-23-15-3-1-2-4-17(15)30(28,29)24-20/h1-4,7-8,11-12,26H,5-6,9-10H2,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 5.30E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Effect on PXR activity


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair