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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM403677'   
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))
BDBM403677
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-14-chloro-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(Cl)ccc2nc1C(F)(F)C=C |r|
Show InChI InChI=1S/C26H32ClF2N3O5/c1-9-26(28,29)20-21(31-17-12-15(27)10-11-16(17)30-20)35-18-13-32(23(34)37-25(6,7)8)19(14(18)2)22(33)36-24(3,4)5/h9-12,14,18-19H,1,13H2,2-8H3/t14-,18+,19+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0200n/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))
BDBM403677
PNG
((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-14-chloro-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(Cl)ccc2nc1C(F)(F)C=C |r|
Show InChI InChI=1S/C26H32ClF2N3O5/c1-9-26(28,29)20-21(31-17-12-15(27)10-11-16(17)30-20)35-18-13-32(23(34)37-25(6,7)8)19(14(18)2)22(33)36-24(3,4)5/h9-12,14,18-19H,1,13H2,2-8H3/t14-,18+,19+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.290n/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