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34 similar compounds to monomer 22084

Compile data set for download or QSAR
Wt: 447.3
BDBM22093
Wt: 375.2
BDBM22095
Wt: 377.2
BDBM22097
Wt: 405.2
BDBM22099
Wt: 320.3
BDBM22056
Wt: 332.4
BDBM22057
Wt: 320.3
BDBM22060
Wt: 332.4
BDBM22061
Wt: 360.4
BDBM22062
Wt: 354.4
BDBM22063
Wt: 306.3
BDBM22064
Wt: 318.3
BDBM22065
Wt: 340.3
BDBM22066
Wt: 340.8
BDBM22067
Wt: 352.8
BDBM22068
Displayed 1 to 15 (of 34 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 22093,22095,22097,22099,22056,22057,22060,22061,22062,22063,22064,22065,22066,22067,22068   
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
Cathepsin B-Like Cysteine Protease (TbcatB)


(Trypanosoma brucei)
BDBM22056
PNG
(9-butyl-6-{[(1R)-1-phenylethyl]amino}-9H-purine-2-...)
Show SMILES CCCCn1cnc2c(N[C@H](C)c3ccccc3)nc(nc12)C#N
Show InChI InChI=1S/C18H20N6/c1-3-4-10-24-12-20-16-17(22-15(11-19)23-18(16)24)21-13(2)14-8-6-5-7-9-14/h5-9,12-13H,3-4,10H2,1-2H3,(H,21,22,23)/t13-/m1/s1
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n/an/a>2.50E+4n/an/an/an/a5.522



University of California at San Francisco



Assay Description
Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...


J Med Chem 51: 545-52 (2008)


Article DOI: 10.1021/jm070760l
BindingDB Entry DOI: 10.7270/Q2V40SH0
More data for this
Ligand-Target Pair
Cathepsin B-Like Cysteine Protease (TbcatB)


(Trypanosoma brucei)
BDBM22099
PNG
(6-{[(3,4-dichlorophenyl)methyl]amino}-9-(5-hydroxy...)
Show SMILES OCCCCCn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N
Show InChI InChI=1S/C18H18Cl2N6O/c19-13-5-4-12(8-14(13)20)10-22-17-16-18(25-15(9-21)24-17)26(11-23-16)6-2-1-3-7-27/h4-5,8,11,27H,1-3,6-7,10H2,(H,22,24,25)
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n/an/a 930n/an/an/an/an/a25



University of California at San Francisco



Assay Description
Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...


J Med Chem 51: 545-52 (2008)


Article DOI: 10.1021/jm070760l
BindingDB Entry DOI: 10.7270/Q2V40SH0
More data for this
Ligand-Target Pair
Cathepsin B-Like Cysteine Protease (TbcatB)


(Trypanosoma brucei)
BDBM22060
PNG
(9-butyl-6-{[(3-methylphenyl)methyl]amino}-9H-purin...)
Show SMILES CCCCn1cnc2c(NCc3cccc(C)c3)nc(nc12)C#N
Show InChI InChI=1S/C18H20N6/c1-3-4-8-24-12-21-16-17(22-15(10-19)23-18(16)24)20-11-14-7-5-6-13(2)9-14/h5-7,9,12H,3-4,8,11H2,1-2H3,(H,20,22,23)
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n/an/a 1.10E+4n/an/an/an/a5.522



University of California at San Francisco



Assay Description
Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...


J Med Chem 51: 545-52 (2008)


Article DOI: 10.1021/jm070760l
BindingDB Entry DOI: 10.7270/Q2V40SH0
More data for this
Ligand-Target Pair
Cathepsin B-Like Cysteine Protease (TbcatB)


(Trypanosoma brucei)
BDBM22061
PNG
(9-cyclopentyl-6-{[(3-methylphenyl)methyl]amino}-9H...)
Show SMILES Cc1cccc(CNc2nc(nc3n(cnc23)C2CCCC2)C#N)c1
Show InChI InChI=1S/C19H20N6/c1-13-5-4-6-14(9-13)11-21-18-17-19(24-16(10-20)23-18)25(12-22-17)15-7-2-3-8-15/h4-6,9,12,15H,2-3,7-8,11H2,1H3,(H,21,23,24)
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n/an/a>2.50E+4n/an/an/an/a5.522



University of California at San Francisco



Assay Description
Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...


J Med Chem 51: 545-52 (2008)


Article DOI: 10.1021/jm070760l
BindingDB Entry DOI: 10.7270/Q2V40SH0
More data for this
Ligand-Target Pair
Cathepsin B-Like Cysteine Protease (TbcatB)


(Trypanosoma brucei)
BDBM22062
PNG
(9-(cyclohexylmethyl)-6-{[(3-methylphenyl)methyl]am...)
Show SMILES Cc1cccc(CNc2nc(nc3n(CC4CCCCC4)cnc23)C#N)c1
Show InChI InChI=1S/C21H24N6/c1-15-6-5-9-17(10-15)12-23-20-19-21(26-18(11-22)25-20)27(14-24-19)13-16-7-3-2-4-8-16/h5-6,9-10,14,16H,2-4,7-8,12-13H2,1H3,(H,23,25,26)
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n/an/a>2.50E+4n/an/an/an/a5.522



University of California at San Francisco



Assay Description
Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...


J Med Chem 51: 545-52 (2008)


Article DOI: 10.1021/jm070760l
BindingDB Entry DOI: 10.7270/Q2V40SH0
More data for this
Ligand-Target Pair
Cathepsin B-Like Cysteine Protease (TbcatB)


(Trypanosoma brucei)
BDBM22063
PNG
(9-benzyl-6-{[(3-methylphenyl)methyl]amino}-9H-puri...)
Show SMILES Cc1cccc(CNc2nc(nc3n(Cc4ccccc4)cnc23)C#N)c1
Show InChI InChI=1S/C21H18N6/c1-15-6-5-9-17(10-15)12-23-20-19-21(26-18(11-22)25-20)27(14-24-19)13-16-7-3-2-4-8-16/h2-10,14H,12-13H2,1H3,(H,23,25,26)
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n/an/a 3.30E+3n/an/an/an/a5.522



University of California at San Francisco



Assay Description
Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...


J Med Chem 51: 545-52 (2008)


Article DOI: 10.1021/jm070760l
BindingDB Entry DOI: 10.7270/Q2V40SH0
More data for this
Ligand-Target Pair
Cathepsin B-Like Cysteine Protease (TbcatB)


(Trypanosoma brucei)
BDBM22064
PNG
(6-(benzylamino)-9-butyl-9H-purine-2-carbonitrile |...)
Show SMILES CCCCn1cnc2c(NCc3ccccc3)nc(nc12)C#N
Show InChI InChI=1S/C17H18N6/c1-2-3-9-23-12-20-15-16(21-14(10-18)22-17(15)23)19-11-13-7-5-4-6-8-13/h4-8,12H,2-3,9,11H2,1H3,(H,19,21,22)
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n/an/a 1.40E+4n/an/an/an/a5.522



University of California at San Francisco



Assay Description
Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...


J Med Chem 51: 545-52 (2008)


Article DOI: 10.1021/jm070760l
BindingDB Entry DOI: 10.7270/Q2V40SH0
More data for this
Ligand-Target Pair
Cathepsin B-Like Cysteine Protease (TbcatB)


(Trypanosoma brucei)
BDBM22065
PNG
(6-(benzylamino)-9-cyclopentyl-9H-purine-2-carbonit...)
Show SMILES N#Cc1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C18H18N6/c19-10-15-22-17(20-11-13-6-2-1-3-7-13)16-18(23-15)24(12-21-16)14-8-4-5-9-14/h1-3,6-7,12,14H,4-5,8-9,11H2,(H,20,22,23)
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n/an/a>2.50E+4n/an/an/an/a5.522



University of California at San Francisco



Assay Description
Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...


J Med Chem 51: 545-52 (2008)


Article DOI: 10.1021/jm070760l
BindingDB Entry DOI: 10.7270/Q2V40SH0
More data for this
Ligand-Target Pair
Cathepsin B-Like Cysteine Protease (TbcatB)


(Trypanosoma brucei)
BDBM22066
PNG
(9-benzyl-6-(benzylamino)-9H-purine-2-carbonitrile ...)
Show SMILES N#Cc1nc(NCc2ccccc2)c2ncn(Cc3ccccc3)c2n1
Show InChI InChI=1S/C20H16N6/c21-11-17-24-19(22-12-15-7-3-1-4-8-15)18-20(25-17)26(14-23-18)13-16-9-5-2-6-10-16/h1-10,14H,12-13H2,(H,22,24,25)
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n/an/a 6.00E+3n/an/an/an/a5.522



University of California at San Francisco



Assay Description
Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...


J Med Chem 51: 545-52 (2008)


Article DOI: 10.1021/jm070760l
BindingDB Entry DOI: 10.7270/Q2V40SH0
More data for this
Ligand-Target Pair
Cathepsin B-Like Cysteine Protease (TbcatB)


(Trypanosoma brucei)
BDBM22067
PNG
(9-butyl-6-{[(4-chlorophenyl)methyl]amino}-9H-purin...)
Show SMILES CCCCn1cnc2c(NCc3ccc(Cl)cc3)nc(nc12)C#N
Show InChI InChI=1S/C17H17ClN6/c1-2-3-8-24-11-21-15-16(22-14(9-19)23-17(15)24)20-10-12-4-6-13(18)7-5-12/h4-7,11H,2-3,8,10H2,1H3,(H,20,22,23)
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n/an/a 1.00E+4n/an/an/an/a5.522



University of California at San Francisco



Assay Description
Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...


J Med Chem 51: 545-52 (2008)


Article DOI: 10.1021/jm070760l
BindingDB Entry DOI: 10.7270/Q2V40SH0
More data for this
Ligand-Target Pair
Cathepsin B-Like Cysteine Protease (TbcatB)


(Trypanosoma brucei)
BDBM22068
PNG
(6-{[(4-chlorophenyl)methyl]amino}-9-cyclopentyl-9H...)
Show SMILES Clc1ccc(CNc2nc(nc3n(cnc23)C2CCCC2)C#N)cc1
Show InChI InChI=1S/C18H17ClN6/c19-13-7-5-12(6-8-13)10-21-17-16-18(24-15(9-20)23-17)25(11-22-16)14-3-1-2-4-14/h5-8,11,14H,1-4,10H2,(H,21,23,24)
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n/an/a 1.90E+4n/an/an/an/a5.522



University of California at San Francisco



Assay Description
Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...


J Med Chem 51: 545-52 (2008)


Article DOI: 10.1021/jm070760l
BindingDB Entry DOI: 10.7270/Q2V40SH0
More data for this
Ligand-Target Pair
Cathepsin B-Like Cysteine Protease (TbcatB)


(Trypanosoma brucei)
BDBM22093
PNG
(6-{[(4-bromophenyl)methyl]amino}-9-(3-phenylpropyl...)
Show SMILES Brc1ccc(CNc2nc(nc3n(CCCc4ccccc4)cnc23)C#N)cc1
Show InChI InChI=1S/C22H19BrN6/c23-18-10-8-17(9-11-18)14-25-21-20-22(28-19(13-24)27-21)29(15-26-20)12-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,15H,4,7,12,14H2,(H,25,27,28)
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n/an/a>2.50E+4n/an/an/an/an/a25



University of California at San Francisco



Assay Description
Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...


J Med Chem 51: 545-52 (2008)


Article DOI: 10.1021/jm070760l
BindingDB Entry DOI: 10.7270/Q2V40SH0
More data for this
Ligand-Target Pair
Cathepsin B-Like Cysteine Protease (TbcatB)


(Trypanosoma brucei)
BDBM22095
PNG
(9-butyl-6-{[(3,4-dichlorophenyl)methyl]amino}-9H-p...)
Show SMILES CCCCn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N
Show InChI InChI=1S/C17H16Cl2N6/c1-2-3-6-25-10-22-15-16(23-14(8-20)24-17(15)25)21-9-11-4-5-12(18)13(19)7-11/h4-5,7,10H,2-3,6,9H2,1H3,(H,21,23,24)
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n/an/a 4.10E+3n/an/an/an/an/a25



University of California at San Francisco



Assay Description
Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...


J Med Chem 51: 545-52 (2008)


Article DOI: 10.1021/jm070760l
BindingDB Entry DOI: 10.7270/Q2V40SH0
More data for this
Ligand-Target Pair
Cathepsin B-Like Cysteine Protease (TbcatB)


(Trypanosoma brucei)
BDBM22097
PNG
(6-{[(3,4-dichlorophenyl)methyl]amino}-9-(3-hydroxy...)
Show SMILES OCCCn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N
Show InChI InChI=1S/C16H14Cl2N6O/c17-11-3-2-10(6-12(11)18)8-20-15-14-16(23-13(7-19)22-15)24(9-21-14)4-1-5-25/h2-3,6,9,25H,1,4-5,8H2,(H,20,22,23)
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n/an/a 270n/an/an/an/an/a25



University of California at San Francisco



Assay Description
Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...


J Med Chem 51: 545-52 (2008)


Article DOI: 10.1021/jm070760l
BindingDB Entry DOI: 10.7270/Q2V40SH0
More data for this
Ligand-Target Pair
Cathepsin B-Like Cysteine Protease (TbcatB)


(Trypanosoma brucei)
BDBM22057
PNG
(9-cyclopentyl-6-{[(1R)-1-phenylethyl]amino}-9H-pur...)
Show SMILES C[C@@H](Nc1nc(nc2n(cnc12)C1CCCC1)C#N)c1ccccc1
Show InChI InChI=1S/C19H20N6/c1-13(14-7-3-2-4-8-14)22-18-17-19(24-16(11-20)23-18)25(12-21-17)15-9-5-6-10-15/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3,(H,22,23,24)/t13-/m1/s1
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n/an/a>2.50E+4n/an/an/an/a5.522



University of California at San Francisco



Assay Description
Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...


J Med Chem 51: 545-52 (2008)


Article DOI: 10.1021/jm070760l
BindingDB Entry DOI: 10.7270/Q2V40SH0
More data for this
Ligand-Target Pair