BindingDB logo
myBDB logout

13 similar compounds to monomer 22059

Compile data set for download or QSAR
Wt: 320.3
BDBM22056
Wt: 332.4
BDBM22057
Wt: 320.3
BDBM22060
Wt: 332.4
BDBM22061
Wt: 306.3
BDBM22064
Wt: 318.3
BDBM22065
Wt: 352.8
BDBM22068
Wt: 336.3
BDBM22074
Wt: 370.4
BDBM22075
Wt: 320.3
BDBM22077
Wt: 370.4
BDBM22081
Wt: 385.2
BDBM22091
Wt: 414.4
BDBM50268500

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 22056,22057,22060,22061,22064,22065,22068,22074,22075,22077,22081,22091,50268500   
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
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
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 L1


(Homo sapiens (human))
BDBM50268500
PNG
(1-butyl-4-(2-(4'-ethylbiphenyl-3-yl)ethyl)-6-ethyn...)
Show SMILES COc1ccc(cc1)-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1
Show InChI InChI=1S/C23H22N6O2/c1-31-19-8-6-17(7-9-19)18-5-2-4-16(12-18)14-25-22-21-23(28-20(13-24)27-22)29(15-26-21)10-3-11-30/h2,4-9,12,15,30H,3,10-11,14H2,1H3,(H,25,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+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)
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
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)
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
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)
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
BDBM22074
PNG
(9-butyl-6-{[(4-methoxyphenyl)methyl]amino}-9H-puri...)
Show SMILES CCCCn1cnc2c(NCc3ccc(OC)cc3)nc(nc12)C#N
Show InChI InChI=1S/C18H20N6O/c1-3-4-9-24-12-21-16-17(22-15(10-19)23-18(16)24)20-11-13-5-7-14(25-2)8-6-13/h5-8,12H,3-4,9,11H2,1-2H3,(H,20,22,23)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
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)
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+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)
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 and K)


(Homo sapiens)
BDBM50268500
PNG
(1-butyl-4-(2-(4'-ethylbiphenyl-3-yl)ethyl)-6-ethyn...)
Show SMILES COc1ccc(cc1)-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1
Show InChI InChI=1S/C23H22N6O2/c1-31-19-8-6-17(7-9-19)18-5-2-4-16(12-18)14-25-22-21-23(28-20(13-24)27-22)29(15-26-21)10-3-11-30/h2,4-9,12,15,30H,3,10-11,14H2,1H3,(H,25,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
BDBM50268500
PNG
(1-butyl-4-(2-(4'-ethylbiphenyl-3-yl)ethyl)-6-ethyn...)
Show SMILES COc1ccc(cc1)-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1
Show InChI InChI=1S/C23H22N6O2/c1-31-19-8-6-17(7-9-19)18-5-2-4-16(12-18)14-25-22-21-23(28-20(13-24)27-22)29(15-26-21)10-3-11-30/h2,4-9,12,15,30H,3,10-11,14H2,1H3,(H,25,27,28)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 800n/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 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
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
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