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Compile Data Set for Download or QSAR

Found 9 hits with Last Name = 'hearn' and Initial = 'br'   
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
Protein UL24 homolog


(Human herpesvirus 8)
BDBM130376
PNG
(N-[2-Benzyl-4-(1H-1,2,3,4-tetrazol-5-yl)phenyl]-6-...)
Show SMILES O=C(Nc1ccc(cc1Cc1ccccc1)-c1nnn[nH]1)c1cccc(CC2CCCCC2)n1
Show InChI InChI=1S/C27H28N6O/c34-27(25-13-7-12-23(28-25)17-20-10-5-2-6-11-20)29-24-15-14-21(26-30-32-33-31-26)18-22(24)16-19-8-3-1-4-9-19/h1,3-4,7-9,12-15,18,20H,2,5-6,10-11,16-17H2,(H,29,34)(H,30,31,32,33)
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n/an/a 1.00E+3n/an/an/an/a8.0n/a



University of California at San Francisco



Assay Description
Compounds were prepared in 100% DMSO from 10 to 0.156 mM and/or from 5 to 0.078 mM. The P6 substrate concentrations were 5, 65, and 150 然 for KSHV, ...


Biochemistry 53: 4648-60 (2014)


Article DOI: 10.1021/bi5003234
BindingDB Entry DOI: 10.7270/Q2WH2NQW
More data for this
Ligand-Target Pair
Protein UL24 homolog


(Human herpesvirus 8)
BDBM36460
PNG
(3-Benzyl-4-(6-(cyclohexylmethyl)picolinamido)benzo...)
Show SMILES OC(=O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)n2)c(Cc2ccccc2)c1
Show InChI InChI=1S/C27H28N2O3/c30-26(25-13-7-12-23(28-25)17-20-10-5-2-6-11-20)29-24-15-14-21(27(31)32)18-22(24)16-19-8-3-1-4-9-19/h1,3-4,7-9,12-15,18,20H,2,5-6,10-11,16-17H2,(H,29,30)(H,31,32)
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n/an/a 1.50E+3n/an/an/an/a8.0n/a



University of California at San Francisco



Assay Description
Compounds were prepared in 100% DMSO from 10 to 0.156 mM and/or from 5 to 0.078 mM. The P6 substrate concentrations were 5, 65, and 150 然 for KSHV, ...


Biochemistry 53: 4648-60 (2014)


Article DOI: 10.1021/bi5003234
BindingDB Entry DOI: 10.7270/Q2WH2NQW
More data for this
Ligand-Target Pair
Protein UL24 homolog


(Human herpesvirus 8)
BDBM130377
PNG
(N-[2-Benzyl-4-(methylsulfonylcarbamoyl)phenyl]-6-(...)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)n2)c(Cc2ccccc2)c1
Show InChI InChI=1S/C28H31N3O4S/c1-36(34,35)31-27(32)22-15-16-25(23(19-22)17-20-9-4-2-5-10-20)30-28(33)26-14-8-13-24(29-26)18-21-11-6-3-7-12-21/h2,4-5,8-10,13-16,19,21H,3,6-7,11-12,17-18H2,1H3,(H,30,33)(H,31,32)
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n/an/a 3.70E+3n/an/an/an/a8.0n/a



University of California at San Francisco



Assay Description
Compounds were prepared in 100% DMSO from 10 to 0.156 mM and/or from 5 to 0.078 mM. The P6 substrate concentrations were 5, 65, and 150 然 for KSHV, ...


Biochemistry 53: 4648-60 (2014)


Article DOI: 10.1021/bi5003234
BindingDB Entry DOI: 10.7270/Q2WH2NQW
More data for this
Ligand-Target Pair
Epstein-Barr nuclear antigen 1


(Human herpesvirus 4)
BDBM130376
PNG
(N-[2-Benzyl-4-(1H-1,2,3,4-tetrazol-5-yl)phenyl]-6-...)
Show SMILES O=C(Nc1ccc(cc1Cc1ccccc1)-c1nnn[nH]1)c1cccc(CC2CCCCC2)n1
Show InChI InChI=1S/C27H28N6O/c34-27(25-13-7-12-23(28-25)17-20-10-5-2-6-11-20)29-24-15-14-21(26-30-32-33-31-26)18-22(24)16-19-8-3-1-4-9-19/h1,3-4,7-9,12-15,18,20H,2,5-6,10-11,16-17H2,(H,29,34)(H,30,31,32,33)
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n/an/a 4.00E+3n/an/an/an/a8.0n/a



University of California at San Francisco



Assay Description
Compounds were prepared in 100% DMSO from 10 to 0.156 mM and/or from 5 to 0.078 mM. The P6 substrate concentrations were 5, 65, and 150 然 for KSHV, ...


Biochemistry 53: 4648-60 (2014)


Article DOI: 10.1021/bi5003234
BindingDB Entry DOI: 10.7270/Q2WH2NQW
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM130376
PNG
(N-[2-Benzyl-4-(1H-1,2,3,4-tetrazol-5-yl)phenyl]-6-...)
Show SMILES O=C(Nc1ccc(cc1Cc1ccccc1)-c1nnn[nH]1)c1cccc(CC2CCCCC2)n1
Show InChI InChI=1S/C27H28N6O/c34-27(25-13-7-12-23(28-25)17-20-10-5-2-6-11-20)29-24-15-14-21(26-30-32-33-31-26)18-22(24)16-19-8-3-1-4-9-19/h1,3-4,7-9,12-15,18,20H,2,5-6,10-11,16-17H2,(H,29,34)(H,30,31,32,33)
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n/an/a 4.70E+3n/an/an/an/a8.0n/a



University of California at San Francisco



Assay Description
Compounds were prepared in 100% DMSO from 10 to 0.156 mM and/or from 5 to 0.078 mM. The P6 substrate concentrations were 5, 65, and 150 然 for KSHV, ...


Biochemistry 53: 4648-60 (2014)


Article DOI: 10.1021/bi5003234
BindingDB Entry DOI: 10.7270/Q2WH2NQW
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM36460
PNG
(3-Benzyl-4-(6-(cyclohexylmethyl)picolinamido)benzo...)
Show SMILES OC(=O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)n2)c(Cc2ccccc2)c1
Show InChI InChI=1S/C27H28N2O3/c30-26(25-13-7-12-23(28-25)17-20-10-5-2-6-11-20)29-24-15-14-21(27(31)32)18-22(24)16-19-8-3-1-4-9-19/h1,3-4,7-9,12-15,18,20H,2,5-6,10-11,16-17H2,(H,29,30)(H,31,32)
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PC cid
PC sid
PDB
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PubMed
n/an/a 7.40E+3n/an/an/an/a8.0n/a



University of California at San Francisco



Assay Description
Compounds were prepared in 100% DMSO from 10 to 0.156 mM and/or from 5 to 0.078 mM. The P6 substrate concentrations were 5, 65, and 150 然 for KSHV, ...


Biochemistry 53: 4648-60 (2014)


Article DOI: 10.1021/bi5003234
BindingDB Entry DOI: 10.7270/Q2WH2NQW
More data for this
Ligand-Target Pair
Epstein-Barr nuclear antigen 1


(Human herpesvirus 4)
BDBM36460
PNG
(3-Benzyl-4-(6-(cyclohexylmethyl)picolinamido)benzo...)
Show SMILES OC(=O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)n2)c(Cc2ccccc2)c1
Show InChI InChI=1S/C27H28N2O3/c30-26(25-13-7-12-23(28-25)17-20-10-5-2-6-11-20)29-24-15-14-21(27(31)32)18-22(24)16-19-8-3-1-4-9-19/h1,3-4,7-9,12-15,18,20H,2,5-6,10-11,16-17H2,(H,29,30)(H,31,32)
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n/an/a 7.70E+3n/an/an/an/a8.0n/a



University of California at San Francisco



Assay Description
Compounds were prepared in 100% DMSO from 10 to 0.156 mM and/or from 5 to 0.078 mM. The P6 substrate concentrations were 5, 65, and 150 然 for KSHV, ...


Biochemistry 53: 4648-60 (2014)


Article DOI: 10.1021/bi5003234
BindingDB Entry DOI: 10.7270/Q2WH2NQW
More data for this
Ligand-Target Pair
Epstein-Barr nuclear antigen 1


(Human herpesvirus 4)
BDBM130377
PNG
(N-[2-Benzyl-4-(methylsulfonylcarbamoyl)phenyl]-6-(...)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)n2)c(Cc2ccccc2)c1
Show InChI InChI=1S/C28H31N3O4S/c1-36(34,35)31-27(32)22-15-16-25(23(19-22)17-20-9-4-2-5-10-20)30-28(33)26-14-8-13-24(29-26)18-21-11-6-3-7-12-21/h2,4-5,8-10,13-16,19,21H,3,6-7,11-12,17-18H2,1H3,(H,30,33)(H,31,32)
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n/an/a 1.90E+4n/an/an/an/a8.0n/a



University of California at San Francisco



Assay Description
Compounds were prepared in 100% DMSO from 10 to 0.156 mM and/or from 5 to 0.078 mM. The P6 substrate concentrations were 5, 65, and 150 然 for KSHV, ...


Biochemistry 53: 4648-60 (2014)


Article DOI: 10.1021/bi5003234
BindingDB Entry DOI: 10.7270/Q2WH2NQW
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM130377
PNG
(N-[2-Benzyl-4-(methylsulfonylcarbamoyl)phenyl]-6-(...)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)n2)c(Cc2ccccc2)c1
Show InChI InChI=1S/C28H31N3O4S/c1-36(34,35)31-27(32)22-15-16-25(23(19-22)17-20-9-4-2-5-10-20)30-28(33)26-14-8-13-24(29-26)18-21-11-6-3-7-12-21/h2,4-5,8-10,13-16,19,21H,3,6-7,11-12,17-18H2,1H3,(H,30,33)(H,31,32)
PDB
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UniProtKB/SwissProt

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DrugBank
GoogleScholar
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PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 3.90E+4n/an/an/an/a8.0n/a



University of California at San Francisco



Assay Description
Compounds were prepared in 100% DMSO from 10 to 0.156 mM and/or from 5 to 0.078 mM. The P6 substrate concentrations were 5, 65, and 150 然 for KSHV, ...


Biochemistry 53: 4648-60 (2014)


Article DOI: 10.1021/bi5003234
BindingDB Entry DOI: 10.7270/Q2WH2NQW
More data for this
Ligand-Target Pair