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Compile Data Set for Download or QSAR

Found 49 hits of ic50 for UniProtKB: P10210   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM59213
PNG
(Pepstatin analog, 1)
Show SMILES CCC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCCN1C(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CO)C(=O)N[C@H](C(C)O)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC(N)O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C78H122N14O20/c1-9-46(6)65(74(106)91-66(47(7)94)75(107)84-54(38-44(2)3)69(101)87-57(78(111)112)40-50-42-81-52-31-26-25-30-51(50)52)89-68(100)53(35-36-60(79)96)83-72(104)59-32-27-37-92(59)63(99)34-24-19-17-15-13-11-10-12-14-16-18-23-33-62(98)82-58(43-93)71(103)90-67(48(8)95)76(108)88-64(45(4)5)73(105)85-55(41-61(80)97)70(102)86-56(77(109)110)39-49-28-21-20-22-29-49/h20-22,25-26,28-31,42,44-48,53-59,61,64-67,81,93-95,97H,9-19,23-24,27,32-41,43,80H2,1-8H3,(H2,79,96)(H,82,98)(H,83,104)(H,84,107)(H,85,105)(H,86,102)(H,87,101)(H,88,108)(H,89,100)(H,90,103)(H,91,106)(H,109,110)(H,111,112)/t46?,47?,48?,53-,54-,55-,56-,57?,58+,59?,61?,64+,65-,66-,67+/m0/s1
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 220n/a 350n/an/an/an/a5.52n/a



Purdue University



Assay Description
The competitive assay requires two inhibitors to act by a purely competitive mechanism, whereas the binding site of on the inhibitors has been establ...

Chem Biol 12: 439-44 (2005)


Article DOI: 10.1016/j.chembiol.2005.02.004
BindingDB Entry DOI: 10.7270/Q2JD4V68
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM59224
PNG
(Pepstatin analog, 12)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(C)O)C(=O)NCCc1ccc(Oc2ccc(O)cc2)cc1 |r|
Show InChI InChI=1S/C53H76N6O11/c1-36(2)33-43(50(65)55-32-31-38-23-27-41(28-24-38)70-42-29-25-40(61)26-30-42)57-52(67)49(37(3)60)59-48(64)22-18-13-11-9-7-5-4-6-8-10-12-17-21-47(63)56-44(35-46(54)62)51(66)58-45(53(68)69)34-39-19-15-14-16-20-39/h14-16,19-20,23-30,36-37,43-45,49,60-61H,4-13,17-18,21-22,31-35H2,1-3H3,(H2,54,62)(H,55,65)(H,56,63)(H,57,67)(H,58,66)(H,59,64)(H,68,69)/t37?,43-,44-,45+,49-/m1/s1
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 96n/a 360n/an/an/an/a5.52n/a



Purdue University



Assay Description
A zhang-poorman assay confirms a competitive inhibition mechanism or inhibit HIV-1 PR as a dimerization or mixed type inhibitor.

Chem Biol 12: 439-44 (2005)


Article DOI: 10.1016/j.chembiol.2005.02.004
BindingDB Entry DOI: 10.7270/Q2JD4V68
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50289659
PNG
(CHEMBL49336 | [(S)-1-(4-Oxo-4H-thieno[3,2-d][1,3]o...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)c1nc2ccsc2c(=O)o1
Show InChI InChI=1S/C16H14N2O4S/c1-10(14-18-12-7-8-23-13(12)15(19)22-14)17-16(20)21-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,17,20)/t10-/m0/s1
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n/an/a 480n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration for peptidolytic activity against herpes simplex type-1 (HSV-1) protease at 10 uM.

Bioorg Med Chem Lett 7: 1733-1738 (1997)


Article DOI: 10.1016/S0960-894X(97)00300-4
BindingDB Entry DOI: 10.7270/Q23778RS
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50289663
PNG
(CHEMBL299316 | [(S)-2-Hydroxy-1-(4-oxo-4H-thieno[3...)
Show SMILES OC[C@H](NC(=O)OCc1ccccc1)c1nc2ccsc2c(=O)o1
Show InChI InChI=1S/C16H14N2O5S/c19-8-12(14-17-11-6-7-24-13(11)15(20)23-14)18-16(21)22-9-10-4-2-1-3-5-10/h1-7,12,19H,8-9H2,(H,18,21)/t12-/m0/s1
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n/an/a 650n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration for peptidolytic activity against herpes simplex type-1 (HSV-1) protease at 10 uM.

Bioorg Med Chem Lett 7: 1733-1738 (1997)


Article DOI: 10.1016/S0960-894X(97)00300-4
BindingDB Entry DOI: 10.7270/Q23778RS
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM59223
PNG
(Pepstatin analog, 11)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(C)O)C(=O)NCCc1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C53H76N6O10/c1-37(2)34-43(50(64)55-33-32-39-28-30-42(31-29-39)69-41-24-18-15-19-25-41)57-52(66)49(38(3)60)59-48(63)27-21-13-11-9-7-5-4-6-8-10-12-20-26-47(62)56-44(36-46(54)61)51(65)58-45(53(67)68)35-40-22-16-14-17-23-40/h14-19,22-25,28-31,37-38,43-45,49,60H,4-13,20-21,26-27,32-36H2,1-3H3,(H2,54,61)(H,55,64)(H,56,62)(H,57,66)(H,58,65)(H,59,63)(H,67,68)/t38?,43-,44-,45+,49-/m1/s1
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 175n/a 730n/an/an/an/a5.52n/a



Purdue University



Assay Description
A zhang-poorman assay confirms a competitive inhibition mechanism or inhibit HIV-1 PR as a dimerization or mixed type inhibitor.

Chem Biol 12: 439-44 (2005)


Article DOI: 10.1016/j.chembiol.2005.02.004
BindingDB Entry DOI: 10.7270/Q2JD4V68
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50288088
PNG
(5,8-Dichloro-2-ethoxy-benzo[d][1,3]oxazin-4-one | ...)
Show SMILES CCOc1nc2c(Cl)ccc(Cl)c2c(=O)o1
Show InChI InChI=1S/C10H7Cl2NO3/c1-2-15-10-13-8-6(12)4-3-5(11)7(8)9(14)16-10/h3-4H,2H2,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex type 1 protease (HSV-1 pr).

Bioorg Med Chem Lett 6: 2463-2466 (1996)


Article DOI: 10.1016/0960-894X(96)00455-6
BindingDB Entry DOI: 10.7270/Q2F47P4R
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM59222
PNG
(Pepstatin analog, 10)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(C)O)C(=O)NCCc1ccc(N)cc1 |r|
Show InChI InChI=1S/C47H73N7O9/c1-32(2)29-37(44(59)50-28-27-34-23-25-36(48)26-24-34)52-46(61)43(33(3)55)54-42(58)22-18-13-11-9-7-5-4-6-8-10-12-17-21-41(57)51-38(31-40(49)56)45(60)53-39(47(62)63)30-35-19-15-14-16-20-35/h14-16,19-20,23-26,32-33,37-39,43,55H,4-13,17-18,21-22,27-31,48H2,1-3H3,(H2,49,56)(H,50,59)(H,51,57)(H,52,61)(H,53,60)(H,54,58)(H,62,63)/t33?,37-,38-,39+,43-/m1/s1
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 650n/a 2.50E+3n/an/an/an/a5.52n/a



Purdue University



Assay Description
A zhang-poorman assay confirms a competitive inhibition mechanism or inhibit HIV-1 PR as a dimerization or mixed type inhibitor.

Chem Biol 12: 439-44 (2005)


Article DOI: 10.1016/j.chembiol.2005.02.004
BindingDB Entry DOI: 10.7270/Q2JD4V68
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50288091
PNG
(2-(4-Methoxy-phenoxy)-benzo[d][1,3]oxazin-4-one | ...)
Show SMILES COc1ccc(Oc2nc3ccccc3c(=O)o2)cc1
Show InChI InChI=1S/C15H11NO4/c1-18-10-6-8-11(9-7-10)19-15-16-13-5-3-2-4-12(13)14(17)20-15/h2-9H,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex type 1 protease (HSV-1 pr).

Bioorg Med Chem Lett 6: 2463-2466 (1996)


Article DOI: 10.1016/0960-894X(96)00455-6
BindingDB Entry DOI: 10.7270/Q2F47P4R
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM59219
PNG
(Pepstatin analog, 7)
Show SMILES COc1ccc(CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(O)=O)C(C)O)cc1 |r|
Show InChI InChI=1S/C48H74N6O10/c1-33(2)30-38(45(59)50-29-28-35-24-26-37(64-4)27-25-35)52-47(61)44(34(3)55)54-43(58)23-19-14-12-10-8-6-5-7-9-11-13-18-22-42(57)51-39(32-41(49)56)46(60)53-40(48(62)63)31-36-20-16-15-17-21-36/h15-17,20-21,24-27,33-34,38-40,44,55H,5-14,18-19,22-23,28-32H2,1-4H3,(H2,49,56)(H,50,59)(H,51,57)(H,52,61)(H,53,60)(H,54,58)(H,62,63)/t34?,38-,39-,40+,44-/m1/s1
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 720n/a 2.70E+3n/an/an/an/a5.52n/a



Purdue University



Assay Description
A zhang-poorman assay confirms a competitive inhibition mechanism or inhibit HIV-1 PR as a dimerization or mixed type inhibitor.

Chem Biol 12: 439-44 (2005)


Article DOI: 10.1016/j.chembiol.2005.02.004
BindingDB Entry DOI: 10.7270/Q2JD4V68
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50289665
PNG
((4-Oxo-4H-thieno[3,2-d][1,3]oxazin-2-ylmethyl)-car...)
Show SMILES O=C(NCc1nc2ccsc2c(=O)o1)OCc1ccccc1
Show InChI InChI=1S/C15H12N2O4S/c18-14-13-11(6-7-22-13)17-12(21-14)8-16-15(19)20-9-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,16,19)
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n/an/a 2.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration for peptidolytic activity against herpes simplex type-1 (HSV-1) protease at 10 uM.

Bioorg Med Chem Lett 7: 1733-1738 (1997)


Article DOI: 10.1016/S0960-894X(97)00300-4
BindingDB Entry DOI: 10.7270/Q23778RS
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM59220
PNG
(Pepstatin analog, 8)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(C)O)C(=O)NCCc1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C47H72N6O11/c1-31(2)27-35(44(60)49-26-25-34-23-24-38(55)39(56)29-34)51-46(62)43(32(3)54)53-42(59)22-18-13-11-9-7-5-4-6-8-10-12-17-21-41(58)50-36(30-40(48)57)45(61)52-37(47(63)64)28-33-19-15-14-16-20-33/h14-16,19-20,23-24,29,31-32,35-37,43,54-56H,4-13,17-18,21-22,25-28,30H2,1-3H3,(H2,48,57)(H,49,60)(H,50,58)(H,51,62)(H,52,61)(H,53,59)(H,63,64)/t32?,35-,36-,37+,43-/m1/s1
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 600n/a 2.90E+3n/an/an/an/a5.52n/a



Purdue University



Assay Description
A zhang-poorman assay confirms a competitive inhibition mechanism or inhibit HIV-1 PR as a dimerization or mixed type inhibitor.

Chem Biol 12: 439-44 (2005)


Article DOI: 10.1016/j.chembiol.2005.02.004
BindingDB Entry DOI: 10.7270/Q2JD4V68
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50289660
PNG
(CHEMBL49670 | [(S)-1-(7-Methyl-4-oxo-4H-thieno[3,2...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)c1nc2c(C)csc2c(=O)o1
Show InChI InChI=1S/C17H16N2O4S/c1-10-9-24-14-13(10)19-15(23-16(14)20)11(2)18-17(21)22-8-12-6-4-3-5-7-12/h3-7,9,11H,8H2,1-2H3,(H,18,21)/t11-/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration for peptidolytic activity against herpes simplex type-1 (HSV-1) protease at 10 uM.

Bioorg Med Chem Lett 7: 1733-1738 (1997)


Article DOI: 10.1016/S0960-894X(97)00300-4
BindingDB Entry DOI: 10.7270/Q23778RS
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50289664
PNG
(CHEMBL299594 | [(S)-1-(4-Oxo-6-phenyl-4H-thieno[3,...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)c1nc2cc(sc2c(=O)o1)-c1ccccc1
Show InChI InChI=1S/C22H18N2O4S/c1-14(23-22(26)27-13-15-8-4-2-5-9-15)20-24-17-12-18(16-10-6-3-7-11-16)29-19(17)21(25)28-20/h2-12,14H,13H2,1H3,(H,23,26)/t14-/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration for peptidolytic activity against herpes simplex type-1 (HSV-1) protease at 10 uM.

Bioorg Med Chem Lett 7: 1733-1738 (1997)


Article DOI: 10.1016/S0960-894X(97)00300-4
BindingDB Entry DOI: 10.7270/Q23778RS
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM59221
PNG
(Pepstatin analog, 9)
Show SMILES COc1ccc(CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(O)=O)C(C)O)cc1OC |r|
Show InChI InChI=1S/C49H76N6O11/c1-33(2)29-37(46(60)51-28-27-36-25-26-40(65-4)41(31-36)66-5)53-48(62)45(34(3)56)55-44(59)24-20-15-13-11-9-7-6-8-10-12-14-19-23-43(58)52-38(32-42(50)57)47(61)54-39(49(63)64)30-35-21-17-16-18-22-35/h16-18,21-22,25-26,31,33-34,37-39,45,56H,6-15,19-20,23-24,27-30,32H2,1-5H3,(H2,50,57)(H,51,60)(H,52,58)(H,53,62)(H,54,61)(H,55,59)(H,63,64)/t34?,37-,38-,39+,45-/m1/s1
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n/an/a 4.30E+3n/an/an/an/a5.52n/a



Purdue University



Assay Description
A zhang-poorman assay confirms a competitive inhibition mechanism or inhibit HIV-1 PR as a dimerization or mixed type inhibitor.

Chem Biol 12: 439-44 (2005)


Article DOI: 10.1016/j.chembiol.2005.02.004
BindingDB Entry DOI: 10.7270/Q2JD4V68
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM59216
PNG
(Pepstatin analog, 4)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(C)O)C(=O)NCCc1cccc(O)c1 |r|
Show InChI InChI=1S/C47H72N6O10/c1-32(2)28-37(44(59)49-27-26-35-22-19-23-36(55)29-35)51-46(61)43(33(3)54)53-42(58)25-18-13-11-9-7-5-4-6-8-10-12-17-24-41(57)50-38(31-40(48)56)45(60)52-39(47(62)63)30-34-20-15-14-16-21-34/h14-16,19-23,29,32-33,37-39,43,54-55H,4-13,17-18,24-28,30-31H2,1-3H3,(H2,48,56)(H,49,59)(H,50,57)(H,51,61)(H,52,60)(H,53,58)(H,62,63)/t33?,37-,38-,39+,43-/m1/s1
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 1.13E+3n/a 4.40E+3n/an/an/an/a5.52n/a



Purdue University



Assay Description
The competitive assay requires two inhibitors to act by a purely competitive mechanism, whereas the binding site of on the inhibitors has been establ...

Chem Biol 12: 439-44 (2005)


Article DOI: 10.1016/j.chembiol.2005.02.004
BindingDB Entry DOI: 10.7270/Q2JD4V68
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM59217
PNG
(Pepstatin analog, 5)
Show SMILES COc1cccc(CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(O)=O)C(C)O)c1 |r|
Show InChI InChI=1S/C48H74N6O10/c1-33(2)29-38(45(59)50-28-27-36-23-20-24-37(30-36)64-4)52-47(61)44(34(3)55)54-43(58)26-19-14-12-10-8-6-5-7-9-11-13-18-25-42(57)51-39(32-41(49)56)46(60)53-40(48(62)63)31-35-21-16-15-17-22-35/h15-17,20-24,30,33-34,38-40,44,55H,5-14,18-19,25-29,31-32H2,1-4H3,(H2,49,56)(H,50,59)(H,51,57)(H,52,61)(H,53,60)(H,54,58)(H,62,63)/t34?,38-,39-,40+,44-/m1/s1
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 1.29E+3n/a 4.90E+3n/an/an/an/a5.52n/a



Purdue University



Assay Description
The competitive assay requires two inhibitors to act by a purely competitive mechanism, whereas the binding site of on the inhibitors has been establ...

Chem Biol 12: 439-44 (2005)


Article DOI: 10.1016/j.chembiol.2005.02.004
BindingDB Entry DOI: 10.7270/Q2JD4V68
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50288097
PNG
(CHEMBL81237 | [1-(2-Isopropylamino-4-oxo-4H-benzo[...)
Show SMILES CC(C)Nc1nc2cc(NC(=O)C(C)NC(=O)OCc3ccccc3)ccc2c(=O)o1
Show InChI InChI=1S/C22H24N4O5/c1-13(2)23-21-26-18-11-16(9-10-17(18)20(28)31-21)25-19(27)14(3)24-22(29)30-12-15-7-5-4-6-8-15/h4-11,13-14H,12H2,1-3H3,(H,23,26)(H,24,29)(H,25,27)
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex type 1 protease (HSV-1 pr).

Bioorg Med Chem Lett 6: 2463-2466 (1996)


Article DOI: 10.1016/0960-894X(96)00455-6
BindingDB Entry DOI: 10.7270/Q2F47P4R
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM59218
PNG
(Pepstatin analog, 6)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(C)O)C(=O)NCCc1ccc(O)cc1 |r|
Show InChI InChI=1S/C47H72N6O10/c1-32(2)29-37(44(59)49-28-27-34-23-25-36(55)26-24-34)51-46(61)43(33(3)54)53-42(58)22-18-13-11-9-7-5-4-6-8-10-12-17-21-41(57)50-38(31-40(48)56)45(60)52-39(47(62)63)30-35-19-15-14-16-20-35/h14-16,19-20,23-26,32-33,37-39,43,54-55H,4-13,17-18,21-22,27-31H2,1-3H3,(H2,48,56)(H,49,59)(H,50,57)(H,51,61)(H,52,60)(H,53,58)(H,62,63)/t33?,37-,38-,39+,43-/m1/s1
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n/an/a 5.80E+3n/an/an/an/a5.52n/a



Purdue University



Assay Description
A zhang-poorman assay confirms a competitive inhibition mechanism or inhibit HIV-1 PR as a dimerization or mixed type inhibitor.

Chem Biol 12: 439-44 (2005)


Article DOI: 10.1016/j.chembiol.2005.02.004
BindingDB Entry DOI: 10.7270/Q2JD4V68
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM59215
PNG
(Pepstatin analog, 3)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(C)O)C(=O)NCCc1ccccc1 |r|
Show InChI InChI=1S/C47H72N6O9/c1-33(2)30-37(44(58)49-29-28-35-22-16-14-17-23-35)51-46(60)43(34(3)54)53-42(57)27-21-13-11-9-7-5-4-6-8-10-12-20-26-41(56)50-38(32-40(48)55)45(59)52-39(47(61)62)31-36-24-18-15-19-25-36/h14-19,22-25,33-34,37-39,43,54H,4-13,20-21,26-32H2,1-3H3,(H2,48,55)(H,49,58)(H,50,56)(H,51,60)(H,52,59)(H,53,57)(H,61,62)/t34?,37-,38+,39-,43-/m0/s1
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n/an/a 5.80E+3n/an/an/an/a5.52n/a



Purdue University



Assay Description
The competitive assay requires two inhibitors to act by a purely competitive mechanism, whereas the binding site of on the inhibitors has been establ...

Chem Biol 12: 439-44 (2005)


Article DOI: 10.1016/j.chembiol.2005.02.004
BindingDB Entry DOI: 10.7270/Q2JD4V68
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM59214
PNG
(Pepstatin analog, 2)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O)C(C)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C48H73N7O10/c1-32(2)28-37(45(61)52-36(44(50)60)29-34-22-16-14-17-23-34)53-47(63)43(33(3)56)55-42(59)27-21-13-11-9-7-5-4-6-8-10-12-20-26-41(58)51-38(31-40(49)57)46(62)54-39(48(64)65)30-35-24-18-15-19-25-35/h14-19,22-25,32-33,36-39,43,56H,4-13,20-21,26-31H2,1-3H3,(H2,49,57)(H2,50,60)(H,51,58)(H,52,61)(H,53,63)(H,54,62)(H,55,59)(H,64,65)/t33?,36-,37-,38+,39+,43-/m0/s1
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 3.00E+3n/a 5.90E+3n/an/an/an/a5.52n/a



Purdue University



Assay Description
The competitive assay requires two inhibitors to act by a purely competitive mechanism, whereas the binding site of on the inhibitors has been establ...

Chem Biol 12: 439-44 (2005)


Article DOI: 10.1016/j.chembiol.2005.02.004
BindingDB Entry DOI: 10.7270/Q2JD4V68
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50289666
PNG
(CHEMBL47729 | [(S)-3-Carbamoyl-1-(4-oxo-4H-thieno[...)
Show SMILES NC(=O)CC[C@H](NC(=O)OCc1ccccc1)c1nc2ccsc2c(=O)o1
Show InChI InChI=1S/C18H17N3O5S/c19-14(22)7-6-13(16-20-12-8-9-27-15(12)17(23)26-16)21-18(24)25-10-11-4-2-1-3-5-11/h1-5,8-9,13H,6-7,10H2,(H2,19,22)(H,21,24)/t13-/m0/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration for peptidolytic activity against herpes simplex type-1 (HSV-1) protease at 10 uM.

Bioorg Med Chem Lett 7: 1733-1738 (1997)


Article DOI: 10.1016/S0960-894X(97)00300-4
BindingDB Entry DOI: 10.7270/Q23778RS
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50288096
PNG
(5-Chloro-2-ethoxy-benzo[d][1,3]oxazin-4-one | CHEM...)
Show SMILES CCOc1nc2cccc(Cl)c2c(=O)o1
Show InChI InChI=1S/C10H8ClNO3/c1-2-14-10-12-7-5-3-4-6(11)8(7)9(13)15-10/h3-5H,2H2,1H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex type 1 protease (HSV-1 pr).

Bioorg Med Chem Lett 6: 2463-2466 (1996)


Article DOI: 10.1016/0960-894X(96)00455-6
BindingDB Entry DOI: 10.7270/Q2F47P4R
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50288086
PNG
(2-Phenoxy-benzo[d][1,3]oxazin-4-one | CHEMBL81468)
Show SMILES O=c1oc(Oc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C14H9NO3/c16-13-11-8-4-5-9-12(11)15-14(18-13)17-10-6-2-1-3-7-10/h1-9H
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex type 1 protease (HSV-1 pr).

Bioorg Med Chem Lett 6: 2463-2466 (1996)


Article DOI: 10.1016/0960-894X(96)00455-6
BindingDB Entry DOI: 10.7270/Q2F47P4R
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50289658
PNG
(CHEMBL45609 | [(S)-2-Carbamoyl-1-(4-oxo-4H-thieno[...)
Show SMILES NC(=O)C[C@H](NC(=O)OCc1ccccc1)c1nc2ccsc2c(=O)o1
Show InChI InChI=1S/C17H15N3O5S/c18-13(21)8-12(15-19-11-6-7-26-14(11)16(22)25-15)20-17(23)24-9-10-4-2-1-3-5-10/h1-7,12H,8-9H2,(H2,18,21)(H,20,23)/t12-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration for peptidolytic activity against herpes simplex type-1 (HSV-1) protease at 10 uM.

Bioorg Med Chem Lett 7: 1733-1738 (1997)


Article DOI: 10.1016/S0960-894X(97)00300-4
BindingDB Entry DOI: 10.7270/Q23778RS
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50288079
PNG
(CHEMBL79521 | {(S)-1-[7-(2-Benzyloxycarbonylamino-...)
Show SMILES CC(NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(c1)nc(oc2=O)[C@H](C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C29H28N4O7/c1-18(30-28(36)38-16-20-9-5-3-6-10-20)25(34)32-22-13-14-23-24(15-22)33-26(40-27(23)35)19(2)31-29(37)39-17-21-11-7-4-8-12-21/h3-15,18-19H,16-17H2,1-2H3,(H,30,36)(H,31,37)(H,32,34)/t18?,19-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex type 1 protease (HSV-1 pr).

Bioorg Med Chem Lett 6: 2463-2466 (1996)


Article DOI: 10.1016/0960-894X(96)00455-6
BindingDB Entry DOI: 10.7270/Q2F47P4R
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50288082
PNG
(CHEMBL79692 | [2-Carbamoyl-1-(2-isopropylamino-4-o...)
Show SMILES CC(C)Nc1nc2cc(NC(=O)C(CC(N)=O)NC(=O)OCc3ccccc3)ccc2c(=O)o1
Show InChI InChI=1S/C23H25N5O6/c1-13(2)25-22-27-17-10-15(8-9-16(17)21(31)34-22)26-20(30)18(11-19(24)29)28-23(32)33-12-14-6-4-3-5-7-14/h3-10,13,18H,11-12H2,1-2H3,(H2,24,29)(H,25,27)(H,26,30)(H,28,32)
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n/an/a 1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex type 1 protease (HSV-1 pr).

Bioorg Med Chem Lett 6: 2463-2466 (1996)


Article DOI: 10.1016/0960-894X(96)00455-6
BindingDB Entry DOI: 10.7270/Q2F47P4R
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50288093
PNG
(2-Allyloxy-benzo[d][1,3]oxazin-4-one | CHEMBL81469)
Show SMILES C=CCOc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C11H9NO3/c1-2-7-14-11-12-9-6-4-3-5-8(9)10(13)15-11/h2-6H,1,7H2
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n/an/a 1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex type 1 protease (HSV-1 pr).

Bioorg Med Chem Lett 6: 2463-2466 (1996)


Article DOI: 10.1016/0960-894X(96)00455-6
BindingDB Entry DOI: 10.7270/Q2F47P4R
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50288087
PNG
(2-Ethoxy-5-methyl-benzo[d][1,3]oxazin-4-one | CHEM...)
Show SMILES CCOc1nc2cccc(C)c2c(=O)o1
Show InChI InChI=1S/C11H11NO3/c1-3-14-11-12-8-6-4-5-7(2)9(8)10(13)15-11/h4-6H,3H2,1-2H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex type 1 protease (HSV-1 pr).

Bioorg Med Chem Lett 6: 2463-2466 (1996)


Article DOI: 10.1016/0960-894X(96)00455-6
BindingDB Entry DOI: 10.7270/Q2F47P4R
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50288098
PNG
(2-Ethoxy-5-ethyl-benzo[d][1,3]oxazin-4-one | CHEMB...)
Show SMILES CCOc1nc2cccc(CC)c2c(=O)o1
Show InChI InChI=1S/C12H13NO3/c1-3-8-6-5-7-9-10(8)11(14)16-12(13-9)15-4-2/h5-7H,3-4H2,1-2H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex type 1 protease (HSV-1 pr).

Bioorg Med Chem Lett 6: 2463-2466 (1996)


Article DOI: 10.1016/0960-894X(96)00455-6
BindingDB Entry DOI: 10.7270/Q2F47P4R
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50288083
PNG
(2-Isopropylamino-benzo[d][1,3]oxazin-4-one | CHEMB...)
Show SMILES CC(C)Nc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C11H12N2O2/c1-7(2)12-11-13-9-6-4-3-5-8(9)10(14)15-11/h3-7H,1-2H3,(H,12,13)
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n/an/a 2.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex type 1 protease (HSV-1 pr).

Bioorg Med Chem Lett 6: 2463-2466 (1996)


Article DOI: 10.1016/0960-894X(96)00455-6
BindingDB Entry DOI: 10.7270/Q2F47P4R
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50288095
PNG
(2-Ethoxy-benzo[d][1,3]oxazin-4-one | CHEMBL450273)
Show SMILES CCOc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C10H9NO3/c1-2-13-10-11-8-6-4-3-5-7(8)9(12)14-10/h3-6H,2H2,1H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex type 1 protease (HSV-1 pr).

Bioorg Med Chem Lett 6: 2463-2466 (1996)


Article DOI: 10.1016/0960-894X(96)00455-6
BindingDB Entry DOI: 10.7270/Q2F47P4R
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50288089
PNG
(2-(4-Oxo-4H-benzo[d][1,3]oxazin-2-ylamino)-propion...)
Show SMILES COC(=O)C(C)Nc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C12H12N2O4/c1-7(10(15)17-2)13-12-14-9-6-4-3-5-8(9)11(16)18-12/h3-7H,1-2H3,(H,13,14)
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n/an/a 2.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex type 1 protease (HSV-1 pr).

Bioorg Med Chem Lett 6: 2463-2466 (1996)


Article DOI: 10.1016/0960-894X(96)00455-6
BindingDB Entry DOI: 10.7270/Q2F47P4R
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50289661
PNG
(CHEMBL45791 | [(S)-2-Methyl-1-(4-oxo-4H-thieno[3,2...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)c1nc2ccsc2c(=O)o1
Show InChI InChI=1S/C18H18N2O4S/c1-11(2)14(16-19-13-8-9-25-15(13)17(21)24-16)20-18(22)23-10-12-6-4-3-5-7-12/h3-9,11,14H,10H2,1-2H3,(H,20,22)/t14-/m0/s1
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n/an/a 3.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration for peptidolytic activity against herpes simplex type-1 (HSV-1) protease at 10 uM.

Bioorg Med Chem Lett 7: 1733-1738 (1997)


Article DOI: 10.1016/S0960-894X(97)00300-4
BindingDB Entry DOI: 10.7270/Q23778RS
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50288092
PNG
(CHEMBL83375 | [(S)-1-(5-Fluoro-4-oxo-4H-benzo[d][1...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)c1nc2cccc(F)c2c(=O)o1
Show InChI InChI=1S/C18H15FN2O4/c1-11(20-18(23)24-10-12-6-3-2-4-7-12)16-21-14-9-5-8-13(19)15(14)17(22)25-16/h2-9,11H,10H2,1H3,(H,20,23)/t11-/m0/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex type 1 protease (HSV-1 pr).

Bioorg Med Chem Lett 6: 2463-2466 (1996)


Article DOI: 10.1016/0960-894X(96)00455-6
BindingDB Entry DOI: 10.7270/Q2F47P4R
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50288084
PNG
(CHEMBL49391 | [(S)-1-(4-Oxo-4H-benzo[d][1,3]oxazin...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C18H16N2O4/c1-12(19-18(22)23-11-13-7-3-2-4-8-13)16-20-15-10-6-5-9-14(15)17(21)24-16/h2-10,12H,11H2,1H3,(H,19,22)/t12-/m0/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration for peptidolytic activity against herpes simplex type-1 (HSV-1) protease at 10 uM.

Bioorg Med Chem Lett 7: 1733-1738 (1997)


Article DOI: 10.1016/S0960-894X(97)00300-4
BindingDB Entry DOI: 10.7270/Q23778RS
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50288084
PNG
(CHEMBL49391 | [(S)-1-(4-Oxo-4H-benzo[d][1,3]oxazin...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C18H16N2O4/c1-12(19-18(22)23-11-13-7-3-2-4-8-13)16-20-15-10-6-5-9-14(15)17(21)24-16/h2-10,12H,11H2,1H3,(H,19,22)/t12-/m0/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex type 1 protease (HSV-1 pr).

Bioorg Med Chem Lett 6: 2463-2466 (1996)


Article DOI: 10.1016/0960-894X(96)00455-6
BindingDB Entry DOI: 10.7270/Q2F47P4R
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50288081
PNG
((2-Isopropylamino-4-oxo-4H-benzo[d][1,3]oxazin-7-y...)
Show SMILES CC(C)COC(=O)Nc1ccc2c(c1)nc(NC(C)C)oc2=O
Show InChI InChI=1S/C16H21N3O4/c1-9(2)8-22-16(21)18-11-5-6-12-13(7-11)19-15(17-10(3)4)23-14(12)20/h5-7,9-10H,8H2,1-4H3,(H,17,19)(H,18,21)
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n/an/a 5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex type 1 protease (HSV-1 pr).

Bioorg Med Chem Lett 6: 2463-2466 (1996)


Article DOI: 10.1016/0960-894X(96)00455-6
BindingDB Entry DOI: 10.7270/Q2F47P4R
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50288085
PNG
(7-Amino-2-isopropylamino-benzo[d][1,3]oxazin-4-one...)
Show SMILES CC(C)Nc1nc2cc(N)ccc2c(=O)o1
Show InChI InChI=1S/C11H13N3O2/c1-6(2)13-11-14-9-5-7(12)3-4-8(9)10(15)16-11/h3-6H,12H2,1-2H3,(H,13,14)
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n/an/a 5.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex type 1 protease (HSV-1 pr).

Bioorg Med Chem Lett 6: 2463-2466 (1996)


Article DOI: 10.1016/0960-894X(96)00455-6
BindingDB Entry DOI: 10.7270/Q2F47P4R
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50288103
PNG
(2-(1-Phenyl-ethylamino)-benzo[d][1,3]oxazin-4-one ...)
Show SMILES CC(Nc1nc2ccccc2c(=O)o1)c1ccccc1
Show InChI InChI=1S/C16H14N2O2/c1-11(12-7-3-2-4-8-12)17-16-18-14-10-6-5-9-13(14)15(19)20-16/h2-11H,1H3,(H,17,18)
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n/an/a 6.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex type 1 protease (HSV-1 pr).

Bioorg Med Chem Lett 6: 2463-2466 (1996)


Article DOI: 10.1016/0960-894X(96)00455-6
BindingDB Entry DOI: 10.7270/Q2F47P4R
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50288099
PNG
(2-Ethoxy-5-fluoro-benzo[d][1,3]oxazin-4-one | CHEM...)
Show SMILES CCOc1nc2cccc(F)c2c(=O)o1
Show InChI InChI=1S/C10H8FNO3/c1-2-14-10-12-7-5-3-4-6(11)8(7)9(13)15-10/h3-5H,2H2,1H3
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n/an/a 7.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex type 1 protease (HSV-1 pr).

Bioorg Med Chem Lett 6: 2463-2466 (1996)


Article DOI: 10.1016/0960-894X(96)00455-6
BindingDB Entry DOI: 10.7270/Q2F47P4R
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50288102
PNG
(CHEMBL45496 | [(S)-1-(5-Methyl-4-oxo-4H-benzo[d][1...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)c1nc2cccc(C)c2c(=O)o1
Show InChI InChI=1S/C19H18N2O4/c1-12-7-6-10-15-16(12)18(22)25-17(21-15)13(2)20-19(23)24-11-14-8-4-3-5-9-14/h3-10,13H,11H2,1-2H3,(H,20,23)/t13-/m0/s1
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n/an/a 1.20E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration for peptidolytic activity against herpes simplex type-1 (HSV-1) protease at 10 uM.

Bioorg Med Chem Lett 7: 1733-1738 (1997)


Article DOI: 10.1016/S0960-894X(97)00300-4
BindingDB Entry DOI: 10.7270/Q23778RS
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50288102
PNG
(CHEMBL45496 | [(S)-1-(5-Methyl-4-oxo-4H-benzo[d][1...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)c1nc2cccc(C)c2c(=O)o1
Show InChI InChI=1S/C19H18N2O4/c1-12-7-6-10-15-16(12)18(22)25-17(21-15)13(2)20-19(23)24-11-14-8-4-3-5-9-14/h3-10,13H,11H2,1-2H3,(H,20,23)/t13-/m0/s1
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n/an/a 1.20E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex type 1 protease (HSV-1 pr).

Bioorg Med Chem Lett 6: 2463-2466 (1996)


Article DOI: 10.1016/0960-894X(96)00455-6
BindingDB Entry DOI: 10.7270/Q2F47P4R
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50288100
PNG
(CHEMBL316027 | [(S)-1-(7-Amino-4-oxo-4H-benzo[d][1...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)c1nc2cc(N)ccc2c(=O)o1
Show InChI InChI=1S/C18H17N3O4/c1-11(20-18(23)24-10-12-5-3-2-4-6-12)16-21-15-9-13(19)7-8-14(15)17(22)25-16/h2-9,11H,10,19H2,1H3,(H,20,23)/t11-/m0/s1
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n/an/a 1.50E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex type 1 protease (HSV-1 pr).

Bioorg Med Chem Lett 6: 2463-2466 (1996)


Article DOI: 10.1016/0960-894X(96)00455-6
BindingDB Entry DOI: 10.7270/Q2F47P4R
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50288094
PNG
(CHEMBL421137 | [(R)-1-(5-Fluoro-4-oxo-4H-benzo[d][...)
Show SMILES C[C@@H](NC(=O)OCc1ccccc1)c1nc2cccc(F)c2c(=O)o1
Show InChI InChI=1S/C18H15FN2O4/c1-11(20-18(23)24-10-12-6-3-2-4-7-12)16-21-14-9-5-8-13(19)15(14)17(22)25-16/h2-9,11H,10H2,1H3,(H,20,23)/t11-/m1/s1
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n/an/a 2.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex type 1 protease (HSV-1 pr).

Bioorg Med Chem Lett 6: 2463-2466 (1996)


Article DOI: 10.1016/0960-894X(96)00455-6
BindingDB Entry DOI: 10.7270/Q2F47P4R
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50289662
PNG
(CHEMBL301380 | [(S)-1-(4-Oxo-4H-thieno[3,2-d][1,3]...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)c1nc2ccsc2c(=O)o1)OCc1ccccc1
Show InChI InChI=1S/C22H18N2O4S/c25-21-19-17(11-12-29-19)23-20(28-21)18(13-15-7-3-1-4-8-15)24-22(26)27-14-16-9-5-2-6-10-16/h1-12,18H,13-14H2,(H,24,26)/t18-/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration for peptidolytic activity against herpes simplex type-1 (HSV-1) protease at 10 uM.

Bioorg Med Chem Lett 7: 1733-1738 (1997)


Article DOI: 10.1016/S0960-894X(97)00300-4
BindingDB Entry DOI: 10.7270/Q23778RS
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50288078
PNG
(2-(3-Fluoro-phenylamino)-benzo[d][1,3]oxazin-4-one...)
Show SMILES Fc1cccc(Nc2nc3ccccc3c(=O)o2)c1
Show InChI InChI=1S/C14H9FN2O2/c15-9-4-3-5-10(8-9)16-14-17-12-7-2-1-6-11(12)13(18)19-14/h1-8H,(H,16,17)
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n/an/a>3.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex type 1 protease (HSV-1 pr).

Bioorg Med Chem Lett 6: 2463-2466 (1996)


Article DOI: 10.1016/0960-894X(96)00455-6
BindingDB Entry DOI: 10.7270/Q2F47P4R
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50288080
PNG
(CHEMBL441994 | [(S)-1-(5-Ethyl-4-oxo-4H-benzo[d][1...)
Show SMILES CCc1cccc2nc(oc(=O)c12)[C@H](C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H20N2O4/c1-3-15-10-7-11-16-17(15)19(23)26-18(22-16)13(2)21-20(24)25-12-14-8-5-4-6-9-14/h4-11,13H,3,12H2,1-2H3,(H,21,24)/t13-/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex type 1 protease (HSV-1 pr).

Bioorg Med Chem Lett 6: 2463-2466 (1996)


Article DOI: 10.1016/0960-894X(96)00455-6
BindingDB Entry DOI: 10.7270/Q2F47P4R
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50288101
PNG
(2-Butylamino-benzo[d][1,3]oxazin-4-one | CHEMBL799...)
Show SMILES CCCCNc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C12H14N2O2/c1-2-3-8-13-12-14-10-7-5-4-6-9(10)11(15)16-12/h4-7H,2-3,8H2,1H3,(H,13,14)
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n/an/a 3.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex type 1 protease (HSV-1 pr).

Bioorg Med Chem Lett 6: 2463-2466 (1996)


Article DOI: 10.1016/0960-894X(96)00455-6
BindingDB Entry DOI: 10.7270/Q2F47P4R
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM50288090
PNG
(CHEMBL79772 | [(S)-1-(5-Chloro-4-oxo-4H-benzo[d][1...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)c1nc2cccc(Cl)c2c(=O)o1
Show InChI InChI=1S/C18H15ClN2O4/c1-11(20-18(23)24-10-12-6-3-2-4-7-12)16-21-14-9-5-8-13(19)15(14)17(22)25-16/h2-9,11H,10H2,1H3,(H,20,23)/t11-/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex type 1 protease (HSV-1 pr).

Bioorg Med Chem Lett 6: 2463-2466 (1996)


Article DOI: 10.1016/0960-894X(96)00455-6
BindingDB Entry DOI: 10.7270/Q2F47P4R
More data for this
Ligand-Target Pair