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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM307552'   
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))
BDBM307552
PNG
(5-(3-((2-(1,2,4-Oxadiazol-3-yl)propan-2-yl)carbamo...)
Show SMILES CNC(=O)c1c(oc2cc(OCC(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H25F3N4O5/c1-30(2,29-35-15-41-37-29)36-27(38)18-6-4-5-17(11-18)20-12-21-23(13-22(20)40-14-24(32)33)42-26(25(21)28(39)34-3)16-7-9-19(31)10-8-16/h4-13,15,24H,14H2,1-3H3,(H,34,39)(H,36,38)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.20n/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))
BDBM307552
PNG
(5-(3-((2-(1,2,4-Oxadiazol-3-yl)propan-2-yl)carbamo...)
Show SMILES CNC(=O)c1c(oc2cc(OCC(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H25F3N4O5/c1-30(2,29-35-15-41-37-29)36-27(38)18-6-4-5-17(11-18)20-12-21-23(13-22(20)40-14-24(32)33)42-26(25(21)28(39)34-3)16-7-9-19(31)10-8-16/h4-13,15,24H,14H2,1-3H3,(H,34,39)(H,36,38)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 7.41n/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