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BDBM50186153 CHEMBL210158::N-{3-[4-Hydroxy-1-(3-methyl-butyl)-2-oxo-1,2-dihydro-[1,8]naphthyridin-3-yl]-1,1-dioxo-1,4-dihydro-1lambda6-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide::N-{3-[4-hydroxy-1-(3-methyl-butyl)-2-oxo-1,2-dihydro-[1,8]naphthyridin-3-yl]-1,1-dioxo-1,4-dihydro-1lambda*6*-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide::N-{3-[4-hydroxy-1-(3-methyl-butyl)-2-oxo-1,2-dihydro-quinolin-3-yl]-1,1-dioxo-1,4-dihydro-1lambda*6*-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide

SMILES: CC(C)CCn1c2ncccc2c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c1=O

InChI Key: InChIKey=GEATWBBNAXBKPV-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 50186153   
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
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50186153
PNG
(CHEMBL210158 | N-{3-[4-Hydroxy-1-(3-methyl-butyl)-...)
Show SMILES CC(C)CCn1c2ncccc2c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c1=O |t:16|
Show InChI InChI=1S/C21H23N5O6S2/c1-12(2)8-10-26-20-14(5-4-9-22-20)18(27)17(21(26)28)19-23-15-7-6-13(24-33(3,29)30)11-16(15)34(31,32)25-19/h4-7,9,11-12,24,27H,8,10H2,1-3H3,(H,23,25)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HCV 1a NS5B RNA polymerase


Bioorg Med Chem Lett 16: 3367-70 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.015
BindingDB Entry DOI: 10.7270/Q2P26XQC
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50186153
PNG
(CHEMBL210158 | N-{3-[4-Hydroxy-1-(3-methyl-butyl)-...)
Show SMILES CC(C)CCn1c2ncccc2c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c1=O |t:16|
Show InChI InChI=1S/C21H23N5O6S2/c1-12(2)8-10-26-20-14(5-4-9-22-20)18(27)17(21(26)28)19-23-15-7-6-13(24-33(3,29)30)11-16(15)34(31,32)25-19/h4-7,9,11-12,24,27H,8,10H2,1-3H3,(H,23,25)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b NS5B RNA polymerase


Bioorg Med Chem Lett 16: 3833-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.022
BindingDB Entry DOI: 10.7270/Q2J9660F
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50186153
PNG
(CHEMBL210158 | N-{3-[4-Hydroxy-1-(3-methyl-butyl)-...)
Show SMILES CC(C)CCn1c2ncccc2c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c1=O |t:16|
Show InChI InChI=1S/C21H23N5O6S2/c1-12(2)8-10-26-20-14(5-4-9-22-20)18(27)17(21(26)28)19-23-15-7-6-13(24-33(3,29)30)11-16(15)34(31,32)25-19/h4-7,9,11-12,24,27H,8,10H2,1-3H3,(H,23,25)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HCV 1a NS5B RNA polymerase


Bioorg Med Chem Lett 16: 3833-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.022
BindingDB Entry DOI: 10.7270/Q2J9660F
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50186153
PNG
(CHEMBL210158 | N-{3-[4-Hydroxy-1-(3-methyl-butyl)-...)
Show SMILES CC(C)CCn1c2ncccc2c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c1=O |t:16|
Show InChI InChI=1S/C21H23N5O6S2/c1-12(2)8-10-26-20-14(5-4-9-22-20)18(27)17(21(26)28)19-23-15-7-6-13(24-33(3,29)30)11-16(15)34(31,32)25-19/h4-7,9,11-12,24,27H,8,10H2,1-3H3,(H,23,25)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b NS5B RNA polymerase


Bioorg Med Chem Lett 16: 3367-70 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.015
BindingDB Entry DOI: 10.7270/Q2P26XQC
More data for this
Ligand-Target Pair