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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'mish' and Initial = 'mr'   
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
DNA polymerase beta


(Homo sapiens (Human))
BDBM50164648
PNG
(2'-deoxythymidine triphosphate | 5'-TTP | CHEMBL36...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
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Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1840-1847 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.037
BindingDB Entry DOI: 10.7270/Q2M047Q1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Genome polyprotein


(Hepatitis C virus (HCV))
BDBM139221
PNG
(US8877733, 28)
Show SMILES C[C@]1(O)[C@@H](O)[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@]1(C#N)n1ccc(N)nc1=O |r|
Show InChI InChI=1/C11H17N4O14P3/c1-10(18)8(16)6(4-26-31(22,23)29-32(24,25)28-30(19,20)21)27-11(10,5-12)15-3-2-7(13)14-9(15)17/h2-3,6,8,16,18H,4H2,1H3,(H,22,23)(H,24,25)(H2,13,14,17)(H2,19,20,21)/t6-,8-,10-,11-/s2
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US Patent
n/an/a 1.80E+4n/an/an/an/a7.535



Gilead Sciences, Inc.

US Patent


Assay Description
Assay Protocol: Either wild type or S282T (Migliaccio, et al., J. Biol. Chem. 2003, 49164-49170; Klumpp, et al., J. Biol. Chem. 2006, 3793-3799) muta...


US Patent US8877733 (2014)


BindingDB Entry DOI: 10.7270/Q2QC026F
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))
BDBM139220
PNG
(US8877733, 27)
Show SMILES C[C@]1(O)[C@@H](O)[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@]1(C#N)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1/C11H16N3O15P3/c1-10(18)8(16)6(4-26-31(22,23)29-32(24,25)28-30(19,20)21)27-11(10,5-12)14-3-2-7(15)13-9(14)17/h2-3,6,8,16,18H,4H2,1H3,(H,22,23)(H,24,25)(H,13,15,17)(H2,19,20,21)/t6-,8-,10-,11-/s2
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UniChem
US Patent
n/an/a 2.70E+4n/an/an/an/a7.535



Gilead Sciences, Inc.

US Patent


Assay Description
Assay Protocol: Either wild type or S282T (Migliaccio, et al., J. Biol. Chem. 2003, 49164-49170; Klumpp, et al., J. Biol. Chem. 2006, 3793-3799) muta...


US Patent US8877733 (2014)


BindingDB Entry DOI: 10.7270/Q2QC026F
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50237537
PNG
(CHEMBL4093601)
Show SMILES C[C@@]1(F)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1c1cnc2c(N)ncnn12 |r|
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Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1840-1847 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.037
BindingDB Entry DOI: 10.7270/Q2M047Q1
More data for this
Ligand-Target Pair