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9 similar compounds to monomer 22051

Compile data set for download or QSAR
Wt: 320.3
BDBM22048
Wt: 284.3
BDBM22049
Wt: 334.4
BDBM22055
Wt: 354.4
BDBM22058
Wt: 354.4
BDBM22063
Wt: 340.3
BDBM22066
Wt: 355.3
BDBM22071
Wt: 354.4
BDBM22073
Wt: 354.4
BDBM22078

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 22048,22049,22055,22058,22063,22066,22071,22073,22078   
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)
BDBM22048
PNG
(9-benzyl-6-{[(2S)-2-methylbutyl]amino}-9H-purine-2...)
Show SMILES CC[C@H](C)CNc1nc(nc2n(Cc3ccccc3)cnc12)C#N
Show InChI InChI=1S/C18H20N6/c1-3-13(2)10-20-17-16-18(23-15(9-19)22-17)24(12-21-16)11-14-7-5-4-6-8-14/h4-8,12-13H,3,10-11H2,1-2H3,(H,20,22,23)/t13-/m0/s1
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Article
PubMed
n/an/a 5.00E+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)
BDBM22049
PNG
(6-(cyclohexylamino)-9-propyl-9H-purine-2-carbonitr...)
Show SMILES CCCn1cnc2c(NC3CCCCC3)nc(nc12)C#N
Show InChI InChI=1S/C15H20N6/c1-2-8-21-10-17-13-14(18-11-6-4-3-5-7-11)19-12(9-16)20-15(13)21/h10-11H,2-8H2,1H3,(H,18,19,20)
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PubMed
n/an/a 8.30E+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)
BDBM22055
PNG
(9-benzyl-6-(hexylamino)-9H-purine-2-carbonitrile |...)
Show SMILES CCCCCCNc1nc(nc2n(Cc3ccccc3)cnc12)C#N
Show InChI InChI=1S/C19H22N6/c1-2-3-4-8-11-21-18-17-19(24-16(12-20)23-18)25(14-22-17)13-15-9-6-5-7-10-15/h5-7,9-10,14H,2-4,8,11,13H2,1H3,(H,21,23,24)
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PubMed
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)
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)
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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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)
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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PubMed
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)
BDBM22071
PNG
(6-[(2-phenylethyl)amino]-9-(pyridin-3-ylmethyl)-9H...)
Show SMILES N#Cc1nc(NCCc2ccccc2)c2ncn(Cc3cccnc3)c2n1
Show InChI InChI=1S/C20H17N7/c21-11-17-25-19(23-10-8-15-5-2-1-3-6-15)18-20(26-17)27(14-24-18)13-16-7-4-9-22-12-16/h1-7,9,12,14H,8,10,13H2,(H,23,25,26)
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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)
BDBM22073
PNG
(9-benzyl-6-[(2-phenylethyl)amino]-9H-purine-2-carb...)
Show SMILES N#Cc1nc(NCCc2ccccc2)c2ncn(Cc3ccccc3)c2n1
Show InChI InChI=1S/C21H18N6/c22-13-18-25-20(23-12-11-16-7-3-1-4-8-16)19-21(26-18)27(15-24-19)14-17-9-5-2-6-10-17/h1-10,15H,11-12,14H2,(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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PubMed
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