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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM307535'   
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))
BDBM307535
PNG
(2-(4-Fluorophenyl)-5-(4-methoxy-3-((1-(pyrimidin-2...)
Show SMILES CNC(=O)c1c(oc2cc(OCC(F)(F)F)c(cc12)-c1ccc(OC)c(c1)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H26F4N4O5/c1-38-30(43)27-22-15-21(25(45-17-33(35,36)37)16-26(22)46-28(27)18-4-7-20(34)8-5-18)19-6-9-24(44-2)23(14-19)29(42)41-32(10-11-32)31-39-12-3-13-40-31/h3-9,12-16H,10-11,17H2,1-2H3,(H,38,43)(H,41,42)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.15n/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))
BDBM307535
PNG
(2-(4-Fluorophenyl)-5-(4-methoxy-3-((1-(pyrimidin-2...)
Show SMILES CNC(=O)c1c(oc2cc(OCC(F)(F)F)c(cc12)-c1ccc(OC)c(c1)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H26F4N4O5/c1-38-30(43)27-22-15-21(25(45-17-33(35,36)37)16-26(22)46-28(27)18-4-7-20(34)8-5-18)19-6-9-24(44-2)23(14-19)29(42)41-32(10-11-32)31-39-12-3-13-40-31/h3-9,12-16H,10-11,17H2,1-2H3,(H,38,43)(H,41,42)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 6.24n/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