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21 similar compounds to monomer 22098

Compile data set for download or QSAR
Wt: 363.2
BDBM22094
Wt: 375.2
BDBM22095
Wt: 377.2
BDBM22097
Wt: 405.2
BDBM22099
Wt: 421.2
BDBM22100
Wt: 391.2
BDBM22101
Wt: 421.2
BDBM22102
Wt: 340.8
BDBM22067
Wt: 322.3
BDBM22076
Wt: 308.3
BDBM22079
Wt: 342.7
BDBM22087
Wt: 356.8
BDBM22088
Wt: 453.3
BDBM50258404
Wt: 453.3
BDBM50258405
Wt: 418.8
BDBM50268445
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 22094,22095,22097,22099,22100,22101,22102,22067,22076,22079,22087,22088,50258404,50258405,50268445   
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)
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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PubMed
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 L1


(Homo sapiens (human))
BDBM50268445
PNG
(6-((4'-chlorobiphenyl-3-yl)methylamino)-9-(3-hydro...)
Show SMILES OCCCn1cnc2c(NCc3cccc(c3)-c3ccc(Cl)cc3)nc(nc12)C#N
Show InChI InChI=1S/C22H19ClN6O/c23-18-7-5-16(6-8-18)17-4-1-3-15(11-17)13-25-21-20-22(28-19(12-24)27-21)29(14-26-20)9-2-10-30/h1,3-8,11,14,30H,2,9-10,13H2,(H,25,27,28)
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L


J Med Chem 52: 6489-93 (2009)


Article DOI: 10.1021/jm900908p
BindingDB Entry DOI: 10.7270/Q2K074BP
More data for this
Ligand-Target Pair
Cathepsin B-Like Cysteine Protease (TbcatB)


(Trypanosoma brucei)
BDBM22079
PNG
(6-(benzylamino)-9-(3-hydroxypropyl)-9H-purine-2-ca...)
Show SMILES OCCCn1cnc2c(NCc3ccccc3)nc(nc12)C#N
Show InChI InChI=1S/C16H16N6O/c17-9-13-20-15(18-10-12-5-2-1-3-6-12)14-16(21-13)22(11-19-14)7-4-8-23/h1-3,5-6,11,23H,4,7-8,10H2,(H,18,20,21)
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n/an/a 1.20E+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)
BDBM22087
PNG
(6-{[(4-chlorophenyl)methyl]amino}-9-(3-hydroxyprop...)
Show SMILES OCCCn1cnc2c(NCc3ccc(Cl)cc3)nc(nc12)C#N
Show InChI InChI=1S/C16H15ClN6O/c17-12-4-2-11(3-5-12)9-19-15-14-16(22-13(8-18)21-15)23(10-20-14)6-1-7-24/h2-5,10,24H,1,6-7,9H2,(H,19,21,22)
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n/an/a 570n/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)
BDBM22088
PNG
(6-{[(4-chlorophenyl)methyl]amino}-9-(4-hydroxybuty...)
Show SMILES OCCCCn1cnc2c(NCc3ccc(Cl)cc3)nc(nc12)C#N
Show InChI InChI=1S/C17H17ClN6O/c18-13-5-3-12(4-6-13)10-20-16-15-17(23-14(9-19)22-16)24(11-21-15)7-1-2-8-25/h3-6,11,25H,1-2,7-8,10H2,(H,20,22,23)
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n/an/a 4.80E+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)
BDBM22094
PNG
(6-{[(3,4-dichlorophenyl)methyl]amino}-9-(2-hydroxy...)
Show SMILES OCCn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N
Show InChI InChI=1S/C15H12Cl2N6O/c16-10-2-1-9(5-11(10)17)7-19-14-13-15(22-12(6-18)21-14)23(3-4-24)8-20-13/h1-2,5,8,24H,3-4,7H2,(H,19,21,22)
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n/an/a 1.40E+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)
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)
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)
BDBM22100
PNG
(6-{[(3,4-dichlorophenyl)methyl]amino}-9-[3-(methox...)
Show SMILES COCOCCCn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N
Show InChI InChI=1S/C18H18Cl2N6O2/c1-27-11-28-6-2-5-26-10-23-16-17(24-15(8-21)25-18(16)26)22-9-12-3-4-13(19)14(20)7-12/h3-4,7,10H,2,5-6,9,11H2,1H3,(H,22,24,25)
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n/an/a 800n/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)
BDBM22101
PNG
(6-{[(3,4-dichlorophenyl)methyl]amino}-9-(3-methoxy...)
Show SMILES COCCCn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N
Show InChI InChI=1S/C17H16Cl2N6O/c1-26-6-2-5-25-10-22-15-16(23-14(8-20)24-17(15)25)21-9-11-3-4-12(18)13(19)7-11/h3-4,7,10H,2,5-6,9H2,1H3,(H,21,23,24)
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n/an/a 2.50E+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)
BDBM22102
PNG
(6-{[(3,4-dichlorophenyl)methyl]amino}-9-(3,3-dimet...)
Show SMILES COC(CCn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N)OC
Show InChI InChI=1S/C18H18Cl2N6O2/c1-27-15(28-2)5-6-26-10-23-16-17(24-14(8-21)25-18(16)26)22-9-11-3-4-12(19)13(20)7-11/h3-4,7,10,15H,5-6,9H2,1-2H3,(H,22,24,25)
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n/an/a 3.40E+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 and K)


(Homo sapiens)
BDBM50268445
PNG
(6-((4'-chlorobiphenyl-3-yl)methylamino)-9-(3-hydro...)
Show SMILES OCCCn1cnc2c(NCc3cccc(c3)-c3ccc(Cl)cc3)nc(nc12)C#N
Show InChI InChI=1S/C22H19ClN6O/c23-18-7-5-16(6-8-18)17-4-1-3-15(11-17)13-25-21-20-22(28-19(12-24)27-21)29(14-26-20)9-2-10-30/h1,3-8,11,14,30H,2,9-10,13H2,(H,25,27,28)
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n/an/a>1.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B


J Med Chem 52: 6489-93 (2009)


Article DOI: 10.1021/jm900908p
BindingDB Entry DOI: 10.7270/Q2K074BP
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50258405
PNG
(6-((3',4'-dichlorobiphenyl-3-yl)methylamino)-9-(3-...)
Show SMILES OCCCn1cnc2c(NCc3cccc(c3)-c3ccc(Cl)c(Cl)c3)nc(nc12)C#N
Show InChI InChI=1S/C22H18Cl2N6O/c23-17-6-5-16(10-18(17)24)15-4-1-3-14(9-15)12-26-21-20-22(29-19(11-25)28-21)30(13-27-20)7-2-8-31/h1,3-6,9-10,13,31H,2,7-8,12H2,(H,26,28,29)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B


J Med Chem 52: 6489-93 (2009)


Article DOI: 10.1021/jm900908p
BindingDB Entry DOI: 10.7270/Q2K074BP
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50258404
PNG
(6-((3',5'-dichlorobiphenyl-3-yl)methylamino)-9-(3-...)
Show SMILES OCCCn1cnc2c(NCc3cccc(c3)-c3cc(Cl)cc(Cl)c3)nc(nc12)C#N
Show InChI InChI=1S/C22H18Cl2N6O/c23-17-8-16(9-18(24)10-17)15-4-1-3-14(7-15)12-26-21-20-22(29-19(11-25)28-21)30(13-27-20)5-2-6-31/h1,3-4,7-10,13,31H,2,5-6,12H2,(H,26,28,29)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B


J Med Chem 52: 6489-93 (2009)


Article DOI: 10.1021/jm900908p
BindingDB Entry DOI: 10.7270/Q2K074BP
More data for this
Ligand-Target Pair
Rhodesain


(Trypanosoma brucei rhodesiense)
BDBM50258405
PNG
(6-((3',4'-dichlorobiphenyl-3-yl)methylamino)-9-(3-...)
Show SMILES OCCCn1cnc2c(NCc3cccc(c3)-c3ccc(Cl)c(Cl)c3)nc(nc12)C#N
Show InChI InChI=1S/C22H18Cl2N6O/c23-17-6-5-16(10-18(17)24)15-4-1-3-14(9-15)12-26-21-20-22(29-19(11-25)28-21)30(13-27-20)7-2-8-31/h1,3-6,9-10,13,31H,2,7-8,12H2,(H,26,28,29)
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n/an/a 900n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain


J Med Chem 52: 6489-93 (2009)


Article DOI: 10.1021/jm900908p
BindingDB Entry DOI: 10.7270/Q2K074BP
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50258404
PNG
(6-((3',5'-dichlorobiphenyl-3-yl)methylamino)-9-(3-...)
Show SMILES OCCCn1cnc2c(NCc3cccc(c3)-c3cc(Cl)cc(Cl)c3)nc(nc12)C#N
Show InChI InChI=1S/C22H18Cl2N6O/c23-17-8-16(9-18(24)10-17)15-4-1-3-14(7-15)12-26-21-20-22(29-19(11-25)28-21)30(13-27-20)5-2-6-31/h1,3-4,7-10,13,31H,2,5-6,12H2,(H,26,28,29)
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n/an/a 900n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L


J Med Chem 52: 6489-93 (2009)


Article DOI: 10.1021/jm900908p
BindingDB Entry DOI: 10.7270/Q2K074BP
More data for this
Ligand-Target Pair
Rhodesain


(Trypanosoma brucei rhodesiense)
BDBM50258404
PNG
(6-((3',5'-dichlorobiphenyl-3-yl)methylamino)-9-(3-...)
Show SMILES OCCCn1cnc2c(NCc3cccc(c3)-c3cc(Cl)cc(Cl)c3)nc(nc12)C#N
Show InChI InChI=1S/C22H18Cl2N6O/c23-17-8-16(9-18(24)10-17)15-4-1-3-14(7-15)12-26-21-20-22(29-19(11-25)28-21)30(13-27-20)5-2-6-31/h1,3-4,7-10,13,31H,2,5-6,12H2,(H,26,28,29)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain


J Med Chem 52: 6489-93 (2009)


Article DOI: 10.1021/jm900908p
BindingDB Entry DOI: 10.7270/Q2K074BP
More data for this
Ligand-Target Pair
Rhodesain


(Trypanosoma brucei rhodesiense)
BDBM50268445
PNG
(6-((4'-chlorobiphenyl-3-yl)methylamino)-9-(3-hydro...)
Show SMILES OCCCn1cnc2c(NCc3cccc(c3)-c3ccc(Cl)cc3)nc(nc12)C#N
Show InChI InChI=1S/C22H19ClN6O/c23-18-7-5-16(6-8-18)17-4-1-3-15(11-17)13-25-21-20-22(28-19(12-24)27-21)29(14-26-20)9-2-10-30/h1,3-8,11,14,30H,2,9-10,13H2,(H,25,27,28)
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain


J Med Chem 52: 6489-93 (2009)


Article DOI: 10.1021/jm900908p
BindingDB Entry DOI: 10.7270/Q2K074BP
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50258405
PNG
(6-((3',4'-dichlorobiphenyl-3-yl)methylamino)-9-(3-...)
Show SMILES OCCCn1cnc2c(NCc3cccc(c3)-c3ccc(Cl)c(Cl)c3)nc(nc12)C#N
Show InChI InChI=1S/C22H18Cl2N6O/c23-17-6-5-16(10-18(17)24)15-4-1-3-14(9-15)12-26-21-20-22(29-19(11-25)28-21)30(13-27-20)7-2-8-31/h1,3-6,9-10,13,31H,2,7-8,12H2,(H,26,28,29)
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PC sid
UniChem

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Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L


J Med Chem 52: 6489-93 (2009)


Article DOI: 10.1021/jm900908p
BindingDB Entry DOI: 10.7270/Q2K074BP
More data for this
Ligand-Target Pair
Cathepsin B-Like Cysteine Protease (TbcatB)


(Trypanosoma brucei)
BDBM22076
PNG
(9-(3-hydroxypropyl)-6-{[(4-methylphenyl)methyl]ami...)
Show SMILES Cc1ccc(CNc2nc(nc3n(CCCO)cnc23)C#N)cc1
Show InChI InChI=1S/C17H18N6O/c1-12-3-5-13(6-4-12)10-19-16-15-17(22-14(9-18)21-16)23(11-20-15)7-2-8-24/h3-6,11,24H,2,7-8,10H2,1H3,(H,19,21,22)
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PubMed
n/an/a 4.20E+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