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12 similar compounds to monomer 22082

Compile data set for download or QSAR
Wt: 419.2
BDBM22092
Wt: 409.2
BDBM22096
Wt: 354.4
BDBM22058
Wt: 354.4
BDBM22063
Wt: 340.3
BDBM22066
Wt: 374.8
BDBM22070
Wt: 370.4
BDBM22075
Wt: 354.4
BDBM22078
Wt: 370.4
BDBM22081
Wt: 358.3
BDBM22085
Wt: 375.8
BDBM22086
Wt: 442.8
BDBM22090

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 22092,22096,22058,22063,22066,22070,22075,22078,22081,22085,22086,22090   
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)
BDBM22058
PNG
(9-benzyl-6-{[(1R)-1-phenylethyl]amino}-9H-purine-2...)
Show SMILES C[C@@H](Nc1nc(nc2n(Cc3ccccc3)cnc12)C#N)c1ccccc1
Show InChI InChI=1S/C21H18N6/c1-15(17-10-6-3-7-11-17)24-20-19-21(26-18(12-22)25-20)27(14-23-19)13-16-8-4-2-5-9-16/h2-11,14-15H,13H2,1H3,(H,24,25,26)/t15-/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)
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)
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)
BDBM22070
PNG
(9-benzyl-6-{[(4-chlorophenyl)methyl]amino}-9H-puri...)
Show SMILES Clc1ccc(CNc2nc(nc3n(Cc4ccccc4)cnc23)C#N)cc1
Show InChI InChI=1S/C20H15ClN6/c21-16-8-6-14(7-9-16)11-23-19-18-20(26-17(10-22)25-19)27(13-24-18)12-15-4-2-1-3-5-15/h1-9,13H,11-12H2,(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)
BDBM22075
PNG
(9-benzyl-6-{[(4-methoxyphenyl)methyl]amino}-9H-pur...)
Show SMILES COc1ccc(CNc2nc(nc3n(Cc4ccccc4)cnc23)C#N)cc1
Show InChI InChI=1S/C21H18N6O/c1-28-17-9-7-15(8-10-17)12-23-20-19-21(26-18(11-22)25-20)27(14-24-19)13-16-5-3-2-4-6-16/h2-10,14H,12-13H2,1H3,(H,23,25,26)
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n/an/a 4.50E+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)
BDBM22096
PNG
(9-benzyl-6-{[(3,4-dichlorophenyl)methyl]amino}-9H-...)
Show SMILES Clc1ccc(CNc2nc(nc3n(Cc4ccccc4)cnc23)C#N)cc1Cl
Show InChI InChI=1S/C20H14Cl2N6/c21-15-7-6-14(8-16(15)22)10-24-19-18-20(27-17(9-23)26-19)28(12-25-18)11-13-4-2-1-3-5-13/h1-8,12H,10-11H2,(H,24,26,27)
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n/an/a 1.50E+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)
BDBM22081
PNG
(6-(benzylamino)-9-[(4-methoxyphenyl)methyl]-9H-pur...)
Show SMILES COc1ccc(Cn2cnc3c(NCc4ccccc4)nc(nc23)C#N)cc1
Show InChI InChI=1S/C21H18N6O/c1-28-17-9-7-16(8-10-17)13-27-14-24-19-20(25-18(11-22)26-21(19)27)23-12-15-5-3-2-4-6-15/h2-10,14H,12-13H2,1H3,(H,23,25,26)
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n/an/a 1.10E+4n/an/an/an/an/a25



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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)
BDBM22085
PNG
(9-benzyl-6-{[(4-fluorophenyl)methyl]amino}-9H-puri...)
Show SMILES Fc1ccc(CNc2nc(nc3n(Cc4ccccc4)cnc23)C#N)cc1
Show InChI InChI=1S/C20H15FN6/c21-16-8-6-14(7-9-16)11-23-19-18-20(26-17(10-22)25-19)27(13-24-18)12-15-4-2-1-3-5-15/h1-9,13H,11-12H2,(H,23,25,26)
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n/an/a 3.30E+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)
BDBM22086
PNG
(6-{[(4-chlorophenyl)methyl]amino}-9-(pyridin-3-ylm...)
Show SMILES Clc1ccc(CNc2nc(nc3n(Cc4cccnc4)cnc23)C#N)cc1
Show InChI InChI=1S/C19H14ClN7/c20-15-5-3-13(4-6-15)10-23-18-17-19(26-16(8-21)25-18)27(12-24-17)11-14-2-1-7-22-9-14/h1-7,9,12H,10-11H2,(H,23,25,26)
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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)
BDBM22090
PNG
(6-{[(4-chlorophenyl)methyl]amino}-9-{[3-(trifluoro...)
Show SMILES FC(F)(F)c1cccc(Cn2cnc3c(NCc4ccc(Cl)cc4)nc(nc23)C#N)c1
Show InChI InChI=1S/C21H14ClF3N6/c22-16-6-4-13(5-7-16)10-27-19-18-20(30-17(9-26)29-19)31(12-28-18)11-14-2-1-3-15(8-14)21(23,24)25/h1-8,12H,10-11H2,(H,27,29,30)
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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)
BDBM22092
PNG
(9-benzyl-6-{[(4-bromophenyl)methyl]amino}-9H-purin...)
Show SMILES Brc1ccc(CNc2nc(nc3n(Cc4ccccc4)cnc23)C#N)cc1
Show InChI InChI=1S/C20H15BrN6/c21-16-8-6-14(7-9-16)11-23-19-18-20(26-17(10-22)25-19)27(13-24-18)12-15-4-2-1-3-5-15/h1-9,13H,11-12H2,(H,23,25,26)
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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)
BDBM22078
PNG
(9-benzyl-6-{[(4-methylphenyl)methyl]amino}-9H-puri...)
Show SMILES Cc1ccc(CNc2nc(nc3n(Cc4ccccc4)cnc23)C#N)cc1
Show InChI InChI=1S/C21H18N6/c1-15-7-9-16(10-8-15)12-23-20-19-21(26-18(11-22)25-20)27(14-24-19)13-17-5-3-2-4-6-17/h2-10,14H,12-13H2,1H3,(H,23,25,26)
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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