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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM307541'   
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 (HCV))
BDBM307541
PNG
(5-(3-((1-Cyanocyclopropyl)carbamoyl)phenyl)-2-(4-f...)
Show SMILES CNC(=O)c1c(oc2cc(OCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC1(CC1)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C29H21F4N3O4/c1-35-27(38)24-21-12-20(17-3-2-4-18(11-17)26(37)36-28(14-34)9-10-28)22(39-15-29(31,32)33)13-23(21)40-25(24)16-5-7-19(30)8-6-16/h2-8,11-13H,9-10,15H2,1H3,(H,35,38)(H,36,37)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.97n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))
BDBM307541
PNG
(5-(3-((1-Cyanocyclopropyl)carbamoyl)phenyl)-2-(4-f...)
Show SMILES CNC(=O)c1c(oc2cc(OCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC1(CC1)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C29H21F4N3O4/c1-35-27(38)24-21-12-20(17-3-2-4-18(11-17)26(37)36-28(14-34)9-10-28)22(39-15-29(31,32)33)13-23(21)40-25(24)16-5-7-19(30)8-6-16/h2-8,11-13H,9-10,15H2,1H3,(H,35,38)(H,36,37)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 20n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair