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Compile Data Set for Download or QSAR

Found 101 hits with Last Name = 'craik' and Initial = 'cs'   
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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50004780
PNG
(3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...)
Show SMILES CC1=C(CCC(O)=O)\C2=C\c3c(CCC(O)=O)c(C)c4\C=C5/N=C(/C=c6/c(C(COC(=O)C7=CC7)OC(=O)C7=CC7)c(C)\c(=C\C1=N2)n6[Mn]n34)C(C)=C5C(COC(=O)C1=CC1)OC(=O)C1C=C1
Show InChI InChI=1S/C50H46N4O12.Mn/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27;/h5,7,9,11-12,17-20,30,41-42H,6,8,10,13-16,21-22H2,1-4H3,(H4,51,52,53,54,55,56,57,58);/q;+2/p-2/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-;
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85n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity against HIV-1 protease


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50004781
PNG
(3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...)
Show SMILES CC1=C(CCC(O)=O)\C2=C\c3c(CCC(O)=O)c(C)c4\C=C5/N=C(/C=c6/c(C(COC(=O)C7=CC7)OC(=O)C7=CC7)c(C)\c(=C\C1=N2)n6[Cu]n34)C(C)=C5C(COC(=O)C1=CC1)OC(=O)C1=CC1
Show InChI InChI=1S/C50H46N4O12.Cu/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27;/h5,7,9,11,17-20,41-42H,6,8,10,12-16,21-22H2,1-4H3,(H4,51,52,53,54,55,56,57,58);/q;+2/p-2/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-;
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140n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity against HIV-1 protease


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50212827
PNG
(CHEMBL3350189)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1
Show InChI InChI=1S/C45H61N7O7/c1-5-29(4)40(45(58)48-25-32-18-11-12-21-47-32)52-44(57)39(28(2)3)42(55)41(54)35(22-30-14-7-6-8-15-30)51-43(56)36(23-33-24-46-27-49-33)50-38(53)26-59-37-20-13-17-31-16-9-10-19-34(31)37/h9-13,16-21,24,27-30,35-36,39-42,54-55H,5-8,14-15,22-23,25-26H2,1-4H3,(H,46,49)(H,48,58)(H,50,53)(H,51,56)(H,52,57)/t29-,35-,36-,39+,40-,41+,42+/m0/s1
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n/an/a<1n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease in 5%DMSO


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Kaposi's sarcoma-associated herpesvirus (KSHV)


(Human herpesvirus 8 (HHV-8) (Kaposi's sarcoma-...)
BDBM36461
PNG
(3-Benzyl-4-(3-(cyclohexylmethyl)-4-methoxybenzamid...)
Show SMILES COc1ccc(cc1CC1CCCCC1)C(=O)Nc1ccc(cc1Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C29H31NO4/c1-34-27-15-13-22(18-25(27)17-21-10-6-3-7-11-21)28(31)30-26-14-12-23(29(32)33)19-24(26)16-20-8-4-2-5-9-20/h2,4-5,8-9,12-15,18-19,21H,3,6-7,10-11,16-17H2,1H3,(H,30,31)(H,32,33)
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n/an/a 16.4n/an/an/an/a8.030



University of California, San Francisco



Assay Description
Human herpesvirus assay using human Kaposi's sarcoma-associated herpesvirus protease (KSHV Pr).


Nat Chem Biol 5: 640-6 (2009)


Article DOI: 10.1038/nchembio.192
BindingDB Entry DOI: 10.7270/Q2RF5SC8
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 2 pol protein


(Human immunodeficiency virus 2)
BDBM50212827
PNG
(CHEMBL3350189)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1
Show InChI InChI=1S/C45H61N7O7/c1-5-29(4)40(45(58)48-25-32-18-11-12-21-47-32)52-44(57)39(28(2)3)42(55)41(54)35(22-30-14-7-6-8-15-30)51-43(56)36(23-33-24-46-27-49-33)50-38(53)26-59-37-20-13-17-31-16-9-10-19-34(31)37/h9-13,16-21,24,27-30,35-36,39-42,54-55H,5-8,14-15,22-23,25-26H2,1-4H3,(H,46,49)(H,48,58)(H,50,53)(H,51,56)(H,52,57)/t29-,35-,36-,39+,40-,41+,42+/m0/s1
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n/an/a 30n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease in 5%DMSO


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50004778
PNG
(3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...)
Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c4C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c3CCC(O)=O
Show InChI InChI=1S/C50H46N4O12/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27/h5,7,9,11,17-20,41-42,53-54H,6,8,10,12-16,21-22H2,1-4H3,(H,55,56)(H,57,58)/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-
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n/an/a 50n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 protease in the absence of DMSO


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50004778
PNG
(3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...)
Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c4C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c3CCC(O)=O
Show InChI InChI=1S/C50H46N4O12/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27/h5,7,9,11,17-20,41-42,53-54H,6,8,10,12-16,21-22H2,1-4H3,(H,55,56)(H,57,58)/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-
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n/an/a 50n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 protease


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50004780
PNG
(3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...)
Show SMILES CC1=C(CCC(O)=O)\C2=C\c3c(CCC(O)=O)c(C)c4\C=C5/N=C(/C=c6/c(C(COC(=O)C7=CC7)OC(=O)C7=CC7)c(C)\c(=C\C1=N2)n6[Mn]n34)C(C)=C5C(COC(=O)C1=CC1)OC(=O)C1C=C1
Show InChI InChI=1S/C50H46N4O12.Mn/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27;/h5,7,9,11-12,17-20,30,41-42H,6,8,10,13-16,21-22H2,1-4H3,(H4,51,52,53,54,55,56,57,58);/q;+2/p-2/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-;
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n/an/a 100n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 protease in the absence of DMSO


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50004778
PNG
(3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...)
Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c4C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c3CCC(O)=O
Show InChI InChI=1S/C50H46N4O12/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27/h5,7,9,11,17-20,41-42,53-54H,6,8,10,12-16,21-22H2,1-4H3,(H,55,56)(H,57,58)/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-
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n/an/a 185n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease in 5%DMSO


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50004778
PNG
(3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...)
Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c4C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c3CCC(O)=O
Show InChI InChI=1S/C50H46N4O12/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27/h5,7,9,11,17-20,41-42,53-54H,6,8,10,12-16,21-22H2,1-4H3,(H,55,56)(H,57,58)/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-
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n/an/a 230n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-2 protease


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50004789
PNG
(3-[8,13-Bis-(2-acetoxy-ethyl)-18-(2-carboxy-ethyl)...)
Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5CCOC(=O)C1=CC1)c(C)c4CCOC(=O)C1=CC1)c(C)c3CCC(O)=O
Show InChI InChI=1S/C42H42N4O8/c1-21-27(9-11-39(47)48)37-20-38-28(10-12-40(49)50)22(2)33(46-38)18-36-30(14-16-54-42(52)26-7-8-26)24(4)34(45-36)19-35-29(13-15-53-41(51)25-5-6-25)23(3)32(43-35)17-31(21)44-37/h5,7,17-20,43,45H,6,8-16H2,1-4H3,(H,47,48)(H,49,50)/b31-17-,32-17-,33-18-,34-19-,35-19-,36-18-,37-20-,38-20-
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n/an/a 275n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease in 5%DMSO


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50004780
PNG
(3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...)
Show SMILES CC1=C(CCC(O)=O)\C2=C\c3c(CCC(O)=O)c(C)c4\C=C5/N=C(/C=c6/c(C(COC(=O)C7=CC7)OC(=O)C7=CC7)c(C)\c(=C\C1=N2)n6[Mn]n34)C(C)=C5C(COC(=O)C1=CC1)OC(=O)C1C=C1
Show InChI InChI=1S/C50H46N4O12.Mn/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27;/h5,7,9,11-12,17-20,30,41-42H,6,8,10,13-16,21-22H2,1-4H3,(H4,51,52,53,54,55,56,57,58);/q;+2/p-2/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-;
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n/an/a 400n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease in 5%DMSO


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50004781
PNG
(3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...)
Show SMILES CC1=C(CCC(O)=O)\C2=C\c3c(CCC(O)=O)c(C)c4\C=C5/N=C(/C=c6/c(C(COC(=O)C7=CC7)OC(=O)C7=CC7)c(C)\c(=C\C1=N2)n6[Cu]n34)C(C)=C5C(COC(=O)C1=CC1)OC(=O)C1=CC1
Show InChI InChI=1S/C50H46N4O12.Cu/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27;/h5,7,9,11,17-20,41-42H,6,8,10,12-16,21-22H2,1-4H3,(H4,51,52,53,54,55,56,57,58);/q;+2/p-2/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-;
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n/an/a 470n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-2 protease in the absence of DMSO


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50004783
PNG
(3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...)
Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CCC1)OC(=O)C1=CCC1)c(C)c4C(COC(=O)C1=CCC1)OC(=O)C1=CCC1)c(C)c3CCC(O)=O
Show InChI InChI=1S/C54H54N4O12/c1-27-35(17-19-47(59)60)41-24-42-36(18-20-48(61)62)28(2)38(56-42)22-43-50(46(70-54(66)34-15-8-16-34)26-68-52(64)32-11-6-12-32)30(4)40(58-43)23-44-49(29(3)39(57-44)21-37(27)55-41)45(69-53(65)33-13-7-14-33)25-67-51(63)31-9-5-10-31/h9,11,13,15,21-24,45-46,57-58H,5-8,10,12,14,16-20,25-26H2,1-4H3,(H,59,60)(H,61,62)/b37-21-,38-22-,39-21-,40-23-,41-24-,42-24-,43-22-,44-23-
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n/an/a 550n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-2 protease in the absence of DMSO


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 2 pol protein


(Human immunodeficiency virus 2)
BDBM50004778
PNG
(3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...)
Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c4C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c3CCC(O)=O
Show InChI InChI=1S/C50H46N4O12/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27/h5,7,9,11,17-20,41-42,53-54H,6,8,10,12-16,21-22H2,1-4H3,(H,55,56)(H,57,58)/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-
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n/an/a 700n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of HIV-2 protease in 5%DMSO


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50004780
PNG
(3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...)
Show SMILES CC1=C(CCC(O)=O)\C2=C\c3c(CCC(O)=O)c(C)c4\C=C5/N=C(/C=c6/c(C(COC(=O)C7=CC7)OC(=O)C7=CC7)c(C)\c(=C\C1=N2)n6[Mn]n34)C(C)=C5C(COC(=O)C1=CC1)OC(=O)C1C=C1
Show InChI InChI=1S/C50H46N4O12.Mn/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27;/h5,7,9,11-12,17-20,30,41-42H,6,8,10,13-16,21-22H2,1-4H3,(H4,51,52,53,54,55,56,57,58);/q;+2/p-2/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-;
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n/an/a 700n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease in 10% fetal calf serum(FCS)


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50004783
PNG
(3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...)
Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CCC1)OC(=O)C1=CCC1)c(C)c4C(COC(=O)C1=CCC1)OC(=O)C1=CCC1)c(C)c3CCC(O)=O
Show InChI InChI=1S/C54H54N4O12/c1-27-35(17-19-47(59)60)41-24-42-36(18-20-48(61)62)28(2)38(56-42)22-43-50(46(70-54(66)34-15-8-16-34)26-68-52(64)32-11-6-12-32)30(4)40(58-43)23-44-49(29(3)39(57-44)21-37(27)55-41)45(69-53(65)33-13-7-14-33)25-67-51(63)31-9-5-10-31/h9,11,13,15,21-24,45-46,57-58H,5-8,10,12,14,16-20,25-26H2,1-4H3,(H,59,60)(H,61,62)/b37-21-,38-22-,39-21-,40-23-,41-24-,42-24-,43-22-,44-23-
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n/an/a 700n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease in 5%DMSO


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50004781
PNG
(3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...)
Show SMILES CC1=C(CCC(O)=O)\C2=C\c3c(CCC(O)=O)c(C)c4\C=C5/N=C(/C=c6/c(C(COC(=O)C7=CC7)OC(=O)C7=CC7)c(C)\c(=C\C1=N2)n6[Cu]n34)C(C)=C5C(COC(=O)C1=CC1)OC(=O)C1=CC1
Show InChI InChI=1S/C50H46N4O12.Cu/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27;/h5,7,9,11,17-20,41-42H,6,8,10,12-16,21-22H2,1-4H3,(H4,51,52,53,54,55,56,57,58);/q;+2/p-2/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-;
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n/an/a 725n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease in 5%DMSO


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50212827
PNG
(CHEMBL3350189)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1
Show InChI InChI=1S/C45H61N7O7/c1-5-29(4)40(45(58)48-25-32-18-11-12-21-47-32)52-44(57)39(28(2)3)42(55)41(54)35(22-30-14-7-6-8-15-30)51-43(56)36(23-33-24-46-27-49-33)50-38(53)26-59-37-20-13-17-31-16-9-10-19-34(31)37/h9-13,16-21,24,27-30,35-36,39-42,54-55H,5-8,14-15,22-23,25-26H2,1-4H3,(H,46,49)(H,48,58)(H,50,53)(H,51,56)(H,52,57)/t29-,35-,36-,39+,40-,41+,42+/m0/s1
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n/an/a 750n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease in 10% fetal calf serum(FCS)


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50004783
PNG
(3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...)
Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CCC1)OC(=O)C1=CCC1)c(C)c4C(COC(=O)C1=CCC1)OC(=O)C1=CCC1)c(C)c3CCC(O)=O
Show InChI InChI=1S/C54H54N4O12/c1-27-35(17-19-47(59)60)41-24-42-36(18-20-48(61)62)28(2)38(56-42)22-43-50(46(70-54(66)34-15-8-16-34)26-68-52(64)32-11-6-12-32)30(4)40(58-43)23-44-49(29(3)39(57-44)21-37(27)55-41)45(69-53(65)33-13-7-14-33)25-67-51(63)31-9-5-10-31/h9,11,13,15,21-24,45-46,57-58H,5-8,10,12,14,16-20,25-26H2,1-4H3,(H,59,60)(H,61,62)/b37-21-,38-22-,39-21-,40-23-,41-24-,42-24-,43-22-,44-23-
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n/an/a 900n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease in 10% fetal calf serum(FCS)


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50004781
PNG
(3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...)
Show SMILES CC1=C(CCC(O)=O)\C2=C\c3c(CCC(O)=O)c(C)c4\C=C5/N=C(/C=c6/c(C(COC(=O)C7=CC7)OC(=O)C7=CC7)c(C)\c(=C\C1=N2)n6[Cu]n34)C(C)=C5C(COC(=O)C1=CC1)OC(=O)C1=CC1
Show InChI InChI=1S/C50H46N4O12.Cu/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27;/h5,7,9,11,17-20,41-42H,6,8,10,12-16,21-22H2,1-4H3,(H4,51,52,53,54,55,56,57,58);/q;+2/p-2/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-;
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n/an/a 975n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease in 10% fetal calf serum(FCS)


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 2 pol protein


(Human immunodeficiency virus 2)
BDBM50004789
PNG
(3-[8,13-Bis-(2-acetoxy-ethyl)-18-(2-carboxy-ethyl)...)
Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5CCOC(=O)C1=CC1)c(C)c4CCOC(=O)C1=CC1)c(C)c3CCC(O)=O
Show InChI InChI=1S/C42H42N4O8/c1-21-27(9-11-39(47)48)37-20-38-28(10-12-40(49)50)22(2)33(46-38)18-36-30(14-16-54-42(52)26-7-8-26)24(4)34(45-36)19-35-29(13-15-53-41(51)25-5-6-25)23(3)32(43-35)17-31(21)44-37/h5,7,17-20,43,45H,6,8-16H2,1-4H3,(H,47,48)(H,49,50)/b31-17-,32-17-,33-18-,34-19-,35-19-,36-18-,37-20-,38-20-
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of HIV-2 protease in 5%DMSO


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Kaposi's sarcoma-associated herpesvirus protease (KSHV Pr)


(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
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50004780
PNG
(3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...)
Show SMILES CC1=C(CCC(O)=O)\C2=C\c3c(CCC(O)=O)c(C)c4\C=C5/N=C(/C=c6/c(C(COC(=O)C7=CC7)OC(=O)C7=CC7)c(C)\c(=C\C1=N2)n6[Mn]n34)C(C)=C5C(COC(=O)C1=CC1)OC(=O)C1C=C1
Show InChI InChI=1S/C50H46N4O12.Mn/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27;/h5,7,9,11-12,17-20,30,41-42H,6,8,10,13-16,21-22H2,1-4H3,(H4,51,52,53,54,55,56,57,58);/q;+2/p-2/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-;
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro Inhibitory activity against HIV-2 protease in the presence of 5%DMSO


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 2 pol protein


(Human immunodeficiency virus 2)
BDBM50004788
PNG
(3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...)
Show SMILES CC1=C(CCC(O)=O)\C2=C\c3c(CCC(O)=O)c(C)c4\C=C5/N=C(/C=c6/c(C(COC(=O)C7=CC7)OC(=O)C7=CC7)c(C)\c(=C\C1=N2)n6[Co]n34)C(C)=C5C(COC(=O)C1=CC1)OC(=O)C1=CC1
Show InChI InChI=1S/C50H46N4O12.Co/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27;/h5,7,9,11,17-20,41-42H,6,8,10,12-16,21-22H2,1-4H3,(H4,51,52,53,54,55,56,57,58);/q;+2/p-2/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-;
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of HIV-2 protease in 5%DMSO


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Kaposi's sarcoma-associated herpesvirus protease (KSHV Pr)


(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
Human immunodeficiency virus type 2 pol protein


(Human immunodeficiency virus 2)
BDBM50004783
PNG
(3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...)
Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CCC1)OC(=O)C1=CCC1)c(C)c4C(COC(=O)C1=CCC1)OC(=O)C1=CCC1)c(C)c3CCC(O)=O
Show InChI InChI=1S/C54H54N4O12/c1-27-35(17-19-47(59)60)41-24-42-36(18-20-48(61)62)28(2)38(56-42)22-43-50(46(70-54(66)34-15-8-16-34)26-68-52(64)32-11-6-12-32)30(4)40(58-43)23-44-49(29(3)39(57-44)21-37(27)55-41)45(69-53(65)33-13-7-14-33)25-67-51(63)31-9-5-10-31/h9,11,13,15,21-24,45-46,57-58H,5-8,10,12,14,16-20,25-26H2,1-4H3,(H,59,60)(H,61,62)/b37-21-,38-22-,39-21-,40-23-,41-24-,42-24-,43-22-,44-23-
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n/an/a 1.55E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of HIV-2 protease in 5%DMSO


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 2 pol protein


(Human immunodeficiency virus 2)
BDBM50004781
PNG
(3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...)
Show SMILES CC1=C(CCC(O)=O)\C2=C\c3c(CCC(O)=O)c(C)c4\C=C5/N=C(/C=c6/c(C(COC(=O)C7=CC7)OC(=O)C7=CC7)c(C)\c(=C\C1=N2)n6[Cu]n34)C(C)=C5C(COC(=O)C1=CC1)OC(=O)C1=CC1
Show InChI InChI=1S/C50H46N4O12.Cu/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27;/h5,7,9,11,17-20,41-42H,6,8,10,12-16,21-22H2,1-4H3,(H4,51,52,53,54,55,56,57,58);/q;+2/p-2/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-;
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of HIV-2 protease in 5%DMSO


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50004788
PNG
(3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...)
Show SMILES CC1=C(CCC(O)=O)\C2=C\c3c(CCC(O)=O)c(C)c4\C=C5/N=C(/C=c6/c(C(COC(=O)C7=CC7)OC(=O)C7=CC7)c(C)\c(=C\C1=N2)n6[Co]n34)C(C)=C5C(COC(=O)C1=CC1)OC(=O)C1=CC1
Show InChI InChI=1S/C50H46N4O12.Co/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27;/h5,7,9,11,17-20,41-42H,6,8,10,12-16,21-22H2,1-4H3,(H4,51,52,53,54,55,56,57,58);/q;+2/p-2/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-;
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n/an/a 2.25E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease in 5%DMSO


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50004778
PNG
(3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...)
Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c4C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c3CCC(O)=O
Show InChI InChI=1S/C50H46N4O12/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27/h5,7,9,11,17-20,41-42,53-54H,6,8,10,12-16,21-22H2,1-4H3,(H,55,56)(H,57,58)/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration against renin


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Kaposi's sarcoma-associated herpesvirus (KSHV)


(Human herpesvirus 8 (HHV-8) (Kaposi's sarcoma-...)
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 3.10E+3n/an/an/an/a8.030



University of California, San Francisco



Assay Description
Human herpesvirus assay using human Kaposi's sarcoma-associated herpesvirus protease (KSHV Pr).


Nat Chem Biol 5: 640-6 (2009)


Article DOI: 10.1038/nchembio.192
BindingDB Entry DOI: 10.7270/Q2RF5SC8
More data for this
Ligand-Target Pair
Kaposi's sarcoma-associated herpesvirus protease (KSHV Pr)


(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
Pepsinogen A5


(Homo sapiens (Human))
BDBM50004778
PNG
(3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...)
Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c4C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c3CCC(O)=O
Show InChI InChI=1S/C50H46N4O12/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27/h5,7,9,11,17-20,41-42,53-54H,6,8,10,12-16,21-22H2,1-4H3,(H,55,56)(H,57,58)/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration against pepsin


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Epstein-Barr virus protease (EBV Pr)


(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
Human cytomegalovirus protease (HCMV Pr)


(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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50004786
PNG
(CHEMBL268410 | Porphyrin analogue)
Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C12C[C@H]5C[C@H](C[C@H](C5)C1)C2)OC(=O)C12C[C@H]5C[C@H](C[C@H](C5)C1)C2)c(C)c4C(COC(=O)C12C[C@H]4C[C@H](C[C@H](C4)C1)C2)OC(=O)C12C[C@H]4C[C@H](C[C@H](C4)C1)C2)c(C)c3CCC(O)=O
Show InChI InChI=1S/C78H94N4O12/c1-39-55(5-7-67(83)84)61-24-62-56(6-8-68(85)86)40(2)58(80-62)22-63-70(66(94-74(90)78-34-52-18-53(35-78)20-54(19-52)36-78)38-92-72(88)76-28-46-12-47(29-76)14-48(13-46)30-76)42(4)60(82-63)23-64-69(41(3)59(81-64)21-57(39)79-61)65(93-73(89)77-31-49-15-50(32-77)17-51(16-49)33-77)37-91-71(87)75-25-43-9-44(26-75)11-45(10-43)27-75/h21-24,43-54,65-66,81-82H,5-20,25-38H2,1-4H3,(H,83,84)(H,85,86)/b57-21-,58-22-,59-21-,60-23-,61-24-,62-24-,63-22-,64-23-/t43-,44+,45-,46-,47+,48-,49-,50+,51-,52-,53+,54-,65?,66?,75?,76?,77?,78?
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease in 5%DMSO


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50004787
PNG
(CHEMBL442513 | Porphyrin analogue)
Show SMILES CN(C)c1ccc(cc1)C(=O)OCC(OC(=O)c1ccc(cc1)N(C)C)c1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)c(C)c5CCC(O)=O)c(CCC(O)=O)c4C)c(C)c3C(COC(=O)c1ccc(cc1)N(C)C)OC(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C70H74N8O12/c1-39-51(29-31-63(79)80)57-36-58-52(30-32-64(81)82)40(2)54(72-58)34-59-66(62(90-70(86)46-19-27-50(28-20-46)78(11)12)38-88-68(84)44-15-23-48(24-16-44)76(7)8)42(4)56(74-59)35-60-65(41(3)55(73-60)33-53(39)71-57)61(89-69(85)45-17-25-49(26-18-45)77(9)10)37-87-67(83)43-13-21-47(22-14-43)75(5)6/h13-28,33-36,61-62,73-74H,29-32,37-38H2,1-12H3,(H,79,80)(H,81,82)/b53-33-,54-34-,55-33-,56-35-,57-36-,58-36-,59-34-,60-35-
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity against HIV-1 protease


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Human cytomegalovirus protease (HCMV Pr)


(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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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 virus protease (EBV Pr)


(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
Kaposi's sarcoma-associated herpesvirus (KSHV)


(Human herpesvirus 8 (HHV-8) (Kaposi's sarcoma-...)
BDBM36459
PNG
(3-Benzyl-4-(3-(cyclohexylmethyl)benzamido)benzoic ...)
Show SMILES OC(=O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)c2)c(Cc2ccccc2)c1
Show InChI InChI=1S/C28H29NO3/c30-27(23-13-7-12-22(18-23)16-20-8-3-1-4-9-20)29-26-15-14-24(28(31)32)19-25(26)17-21-10-5-2-6-11-21/h2,5-7,10-15,18-20H,1,3-4,8-9,16-17H2,(H,29,30)(H,31,32)
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n/an/a 8.80E+3n/an/an/an/a8.030



University of California, San Francisco



Assay Description
Human herpesvirus assay using human Kaposi's sarcoma-associated herpesvirus protease (KSHV Pr).


Nat Chem Biol 5: 640-6 (2009)


Article DOI: 10.1038/nchembio.192
BindingDB Entry DOI: 10.7270/Q2RF5SC8
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50004778
PNG
(3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...)
Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c4C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c3CCC(O)=O
Show InChI InChI=1S/C50H46N4O12/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27/h5,7,9,11,17-20,41-42,53-54H,6,8,10,12-16,21-22H2,1-4H3,(H,55,56)(H,57,58)/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration against cathepsin D


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50004783
PNG
(3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...)
Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CCC1)OC(=O)C1=CCC1)c(C)c4C(COC(=O)C1=CCC1)OC(=O)C1=CCC1)c(C)c3CCC(O)=O
Show InChI InChI=1S/C54H54N4O12/c1-27-35(17-19-47(59)60)41-24-42-36(18-20-48(61)62)28(2)38(56-42)22-43-50(46(70-54(66)34-15-8-16-34)26-68-52(64)32-11-6-12-32)30(4)40(58-43)23-44-49(29(3)39(57-44)21-37(27)55-41)45(69-53(65)33-13-7-14-33)25-67-51(63)31-9-5-10-31/h9,11,13,15,21-24,45-46,57-58H,5-8,10,12,14,16-20,25-26H2,1-4H3,(H,59,60)(H,61,62)/b37-21-,38-22-,39-21-,40-23-,41-24-,42-24-,43-22-,44-23-
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-2 protease


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 2 pol protein


(Human immunodeficiency virus 2)
BDBM50004778
PNG
(3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...)
Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c4C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c3CCC(O)=O
Show InChI InChI=1S/C50H46N4O12/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27/h5,7,9,11,17-20,41-42,53-54H,6,8,10,12-16,21-22H2,1-4H3,(H,55,56)(H,57,58)/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of HIV-2 protease in 5%DMSO


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50004778
PNG
(3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...)
Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c4C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c3CCC(O)=O
Show InChI InChI=1S/C50H46N4O12/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27/h5,7,9,11,17-20,41-42,53-54H,6,8,10,12-16,21-22H2,1-4H3,(H,55,56)(H,57,58)/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 protease in the absence of DMSO


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Matrix metalloproteinase 9


(Mus musculus)
BDBM50116272
PNG
((2-Aminomethyl-1H-benzoimidazol-5-yl)-(2-benzyloxy...)
Show SMILES NCc1nc2ccc(NCc3ccccc3OCc3ccccc3)cc2[nH]1
Show InChI InChI=1S/C22H22N4O/c23-13-22-25-19-11-10-18(12-20(19)26-22)24-14-17-8-4-5-9-21(17)27-15-16-6-2-1-3-7-16/h1-12,24H,13-15,23H2,(H,25,26)
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against murine gelatinase B


Bioorg Med Chem Lett 12: 2201-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00365-7
BindingDB Entry DOI: 10.7270/Q2RR1XK6
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 2 pol protein


(Human immunodeficiency virus 2)
BDBM50004786
PNG
(CHEMBL268410 | Porphyrin analogue)
Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C12C[C@H]5C[C@H](C[C@H](C5)C1)C2)OC(=O)C12C[C@H]5C[C@H](C[C@H](C5)C1)C2)c(C)c4C(COC(=O)C12C[C@H]4C[C@H](C[C@H](C4)C1)C2)OC(=O)C12C[C@H]4C[C@H](C[C@H](C4)C1)C2)c(C)c3CCC(O)=O
Show InChI InChI=1S/C78H94N4O12/c1-39-55(5-7-67(83)84)61-24-62-56(6-8-68(85)86)40(2)58(80-62)22-63-70(66(94-74(90)78-34-52-18-53(35-78)20-54(19-52)36-78)38-92-72(88)76-28-46-12-47(29-76)14-48(13-46)30-76)42(4)60(82-63)23-64-69(41(3)59(81-64)21-57(39)79-61)65(93-73(89)77-31-49-15-50(32-77)17-51(16-49)33-77)37-91-71(87)75-25-43-9-44(26-75)11-45(10-43)27-75/h21-24,43-54,65-66,81-82H,5-20,25-38H2,1-4H3,(H,83,84)(H,85,86)/b57-21-,58-22-,59-21-,60-23-,61-24-,62-24-,63-22-,64-23-/t43-,44+,45-,46-,47+,48-,49-,50+,51-,52-,53+,54-,65?,66?,75?,76?,77?,78?
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of HIV-2 protease in 5%DMSO


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Matrix metalloproteinase 9


(Mus musculus)
BDBM50116272
PNG
((2-Aminomethyl-1H-benzoimidazol-5-yl)-(2-benzyloxy...)
Show SMILES NCc1nc2ccc(NCc3ccccc3OCc3ccccc3)cc2[nH]1
Show InChI InChI=1S/C22H22N4O/c23-13-22-25-19-11-10-18(12-20(19)26-22)24-14-17-8-4-5-9-21(17)27-15-16-6-2-1-3-7-16/h1-12,24H,13-15,23H2,(H,25,26)
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against murine gelatinase B


Bioorg Med Chem Lett 12: 2201-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00365-7
BindingDB Entry DOI: 10.7270/Q2RR1XK6
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50004790
PNG
(CHEMBL384612 | Porphyrin analogue)
Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)c1ccc2ccccc2c1)OC(=O)c1ccc2ccccc2c1)c(C)c4C(COC(=O)c1ccc2ccccc2c1)OC(=O)c1ccc2ccccc2c1)c(C)c3CCC(O)=O
Show InChI InChI=1S/C78H62N4O12/c1-43-59(29-31-71(83)84)65-40-66-60(30-32-72(85)86)44(2)62(80-66)38-67-74(70(94-78(90)58-28-24-50-16-8-12-20-54(50)36-58)42-92-76(88)56-26-22-48-14-6-10-18-52(48)34-56)46(4)64(82-67)39-68-73(45(3)63(81-68)37-61(43)79-65)69(93-77(89)57-27-23-49-15-7-11-19-53(49)35-57)41-91-75(87)55-25-21-47-13-5-9-17-51(47)33-55/h5-28,33-40,69-70,81-82H,29-32,41-42H2,1-4H3,(H,83,84)(H,85,86)/b61-37-,62-38-,63-37-,64-39-,65-40-,66-40-,67-38-,68-39-
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease in 5%DMSO


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50004785
PNG
(CHEMBL217693 | Porphyrin analogue)
Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)c1ccccc1)OC(=O)c1ccccc1)c(C)c4C(COC(=O)c1ccccc1)OC(=O)c1ccccc1)c(C)c3CCC(O)=O
Show InChI InChI=1S/C62H54N4O12/c1-35-43(25-27-55(67)68)49-32-50-44(26-28-56(69)70)36(2)46(64-50)30-51-58(54(78-62(74)42-23-15-8-16-24-42)34-76-60(72)40-19-11-6-12-20-40)38(4)48(66-51)31-52-57(37(3)47(65-52)29-45(35)63-49)53(77-61(73)41-21-13-7-14-22-41)33-75-59(71)39-17-9-5-10-18-39/h5-24,29-32,53-54,65-66H,25-28,33-34H2,1-4H3,(H,67,68)(H,69,70)/b45-29-,46-30-,47-29-,48-31-,49-32-,50-32-,51-30-,52-31-
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease in 5%DMSO


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 2 pol protein


(Human immunodeficiency virus 2)
BDBM50004787
PNG
(CHEMBL442513 | Porphyrin analogue)
Show SMILES CN(C)c1ccc(cc1)C(=O)OCC(OC(=O)c1ccc(cc1)N(C)C)c1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)c(C)c5CCC(O)=O)c(CCC(O)=O)c4C)c(C)c3C(COC(=O)c1ccc(cc1)N(C)C)OC(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C70H74N8O12/c1-39-51(29-31-63(79)80)57-36-58-52(30-32-64(81)82)40(2)54(72-58)34-59-66(62(90-70(86)46-19-27-50(28-20-46)78(11)12)38-88-68(84)44-15-23-48(24-16-44)76(7)8)42(4)56(74-59)35-60-65(41(3)55(73-60)33-53(39)71-57)61(89-69(85)45-17-25-49(26-18-45)77(9)10)37-87-67(83)43-13-21-47(22-14-43)75(5)6/h13-28,33-36,61-62,73-74H,29-32,37-38H2,1-12H3,(H,79,80)(H,81,82)/b53-33-,54-34-,55-33-,56-35-,57-36-,58-36-,59-34-,60-35-
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of HIV-2 protease in 5%DMSO


J Med Chem 35: 3426-8 (1992)


Article DOI: 10.1021/jm00096a020
BindingDB Entry DOI: 10.7270/Q27W6CTB
More data for this
Ligand-Target Pair
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