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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM403675'   
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
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM403675
PNG
((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...)
Show SMILES C[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Oc1nc2cc(F)ccc2nc1Cl |r|
Show InChI InChI=1S/C23H29ClFN3O5/c1-12-16(31-19-18(24)26-14-9-8-13(25)10-15(14)27-19)11-28(21(30)33-23(5,6)7)17(12)20(29)32-22(2,3)4/h8-10,12,16-17H,11H2,1-7H3/t12-,16+,17+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0400n/an/an/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2930WJC
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 3a (isolate k3a) (HCV))
BDBM403675
PNG
((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...)
Show SMILES C[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Oc1nc2cc(F)ccc2nc1Cl |r|
Show InChI InChI=1S/C23H29ClFN3O5/c1-12-16(31-19-18(24)26-14-9-8-13(25)10-15(14)27-19)11-28(21(30)33-23(5,6)7)17(12)20(29)32-22(2,3)4/h8-10,12,16-17H,11H2,1-7H3/t12-,16+,17+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0700n/an/an/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2930WJC
More data for this
Ligand-Target Pair