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5 similar compounds to monomer 22071

Compile data set for download or QSAR
Wt: 320.3
BDBM22048
Wt: 332.4
BDBM22051
Wt: 334.4
BDBM22055
Wt: 354.4
BDBM22073
Wt: 375.8
BDBM22086

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 22048,22051,22055,22073,22086   
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
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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)
BDBM22051
PNG
(9-benzyl-6-(cyclohexylamino)-9H-purine-2-carbonitr...)
Show SMILES N#Cc1nc(NC2CCCCC2)c2ncn(Cc3ccccc3)c2n1
Show InChI InChI=1S/C19H20N6/c20-11-16-23-18(22-15-9-5-2-6-10-15)17-19(24-16)25(13-21-17)12-14-7-3-1-4-8-14/h1,3-4,7-8,13,15H,2,5-6,9-10,12H2,(H,22,23,24)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+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)
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
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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)
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)
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)
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)
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