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13 similar compounds to monomer 22072

Compile data set for download or QSAR
Wt: 298.3
BDBM22046
Wt: 300.4
BDBM22052
Wt: 312.4
BDBM22053
Wt: 340.4
BDBM22054
Wt: 320.3
BDBM22056
Wt: 320.3
BDBM22060
Wt: 306.3
BDBM22064
Wt: 318.3
BDBM22065
Wt: 340.8
BDBM22067
Wt: 354.4
BDBM22073
Wt: 320.3
BDBM22077
Wt: 324.3
BDBM22084
Wt: 385.2
BDBM22091

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 22046,22052,22053,22054,22056,22060,22064,22065,22067,22073,22077,22084,22091   
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)
BDBM22046
PNG
(9-cyclopentyl-6-{[(2S)-2-methylbutyl]amino}-9H-pur...)
Show SMILES CC[C@H](C)CNc1nc(nc2n(cnc12)C1CCCC1)C#N
Show InChI InChI=1S/C16H22N6/c1-3-11(2)9-18-15-14-16(21-13(8-17)20-15)22(10-19-14)12-6-4-5-7-12/h10-12H,3-7,9H2,1-2H3,(H,18,20,21)/t11-/m0/s1
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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)
BDBM22052
PNG
(9-butyl-6-(hexylamino)-9H-purine-2-carbonitrile | ...)
Show SMILES CCCCCCNc1nc(nc2n(CCCC)cnc12)C#N
Show InChI InChI=1S/C16H24N6/c1-3-5-7-8-9-18-15-14-16(21-13(11-17)20-15)22(12-19-14)10-6-4-2/h12H,3-10H2,1-2H3,(H,18,20,21)
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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)
BDBM22053
PNG
(9-cyclopentyl-6-(hexylamino)-9H-purine-2-carbonitr...)
Show SMILES CCCCCCNc1nc(nc2n(cnc12)C1CCCC1)C#N
Show InChI InChI=1S/C17H24N6/c1-2-3-4-7-10-19-16-15-17(22-14(11-18)21-16)23(12-20-15)13-8-5-6-9-13/h12-13H,2-10H2,1H3,(H,19,21,22)
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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)
BDBM22054
PNG
(9-(cyclohexylmethyl)-6-(hexylamino)-9H-purine-2-ca...)
Show SMILES CCCCCCNc1nc(nc2n(CC3CCCCC3)cnc12)C#N
Show InChI InChI=1S/C19H28N6/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/h14-15H,2-11,13H2,1H3,(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)
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)
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)
BDBM22091
PNG
(6-{[(4-bromophenyl)methyl]amino}-9-butyl-9H-purine...)
Show SMILES CCCCn1cnc2c(NCc3ccc(Br)cc3)nc(nc12)C#N
Show InChI InChI=1S/C17H17BrN6/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 8.40E+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)
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)
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)
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)
BDBM22077
PNG
(9-butyl-6-{[(4-methylphenyl)methyl]amino}-9H-purin...)
Show SMILES CCCCn1cnc2c(NCc3ccc(C)cc3)nc(nc12)C#N
Show InChI InChI=1S/C18H20N6/c1-3-4-9-24-12-21-16-17(22-15(10-19)23-18(16)24)20-11-14-7-5-13(2)6-8-14/h5-8,12H,3-4,9,11H2,1-2H3,(H,20,22,23)
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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)
BDBM22084
PNG
(9-butyl-6-{[(4-fluorophenyl)methyl]amino}-9H-purin...)
Show SMILES CCCCn1cnc2c(NCc3ccc(F)cc3)nc(nc12)C#N
Show InChI InChI=1S/C17H17FN6/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 7.10E+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)
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