BindingDB logo
myBDB logout

44 similar compounds to monomer 50299202

Compile data set for download or QSAR
Wt: 493.0
BDBM33973
Wt: 519.0
BDBM33974
Wt: 519.0
BDBM33975
Wt: 545.1
BDBM33976
Wt: 539.0
BDBM33977
Wt: 545.1
BDBM33978
Wt: 545.1
BDBM33979
Wt: 462.9
BDBM33980
Wt: 573.5
BDBM33981
Wt: 553.1
BDBM33982
Wt: 607.0
BDBM33983
Wt: 569.1
BDBM33984
Wt: 573.5
BDBM33985
Wt: 607.0
BDBM33986
Wt: 573.5
BDBM33987
Displayed 1 to 15 (of 44 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 33973,33974,33975,33976,33977,33978,33979,33980,33981,33982,33983,33984,33985,33986,33987   
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 S


(Homo sapiens (Human))
BDBM33973
PNG
(arylalkyne pyrazole-based compound, 4)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#CCO
Show InChI InChI=1S/C23H29ClN4O4S/c1-33(30,31)27-10-7-22-20(17-27)23(19-5-6-21(24)18(16-19)4-2-13-29)25-28(22)9-3-8-26-11-14-32-15-12-26/h5-6,16,29H,3,7-15,17H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.90E+3n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33987
PNG
(arylalkyne pyrazole-based compound, 18)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)cc1
Show InChI InChI=1S/C28H30Cl2N4O3S/c1-38(35,36)33-14-11-27-25(20-33)28(31-34(27)13-2-12-32-15-17-37-18-16-32)23-7-10-26(30)22(19-23)6-3-21-4-8-24(29)9-5-21/h4-5,7-10,19H,2,11-18,20H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 200n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33975
PNG
(arylalkyne pyrazole-based compound, 6)
Show SMILES CC(C)CC#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)S(C)(=O)=O
Show InChI InChI=1S/C26H35ClN4O3S/c1-20(2)6-4-7-21-18-22(8-9-24(21)27)26-23-19-30(35(3,32)33)13-10-25(23)31(28-26)12-5-11-29-14-16-34-17-15-29/h8-9,18,20H,5-6,10-17,19H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.30E+3n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33976
PNG
(arylalkyne pyrazole-based compound, 7)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#CC1CCCCC1
Show InChI InChI=1S/C28H37ClN4O3S/c1-37(34,35)32-15-12-27-25(21-32)28(30-33(27)14-5-13-31-16-18-36-19-17-31)24-10-11-26(29)23(20-24)9-8-22-6-3-2-4-7-22/h10-11,20,22H,2-7,12-19,21H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.70E+3n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33977
PNG
(arylalkyne pyrazole-based compound, 8)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccccc1
Show InChI InChI=1S/C28H31ClN4O3S/c1-37(34,35)32-15-12-27-25(21-32)28(30-33(27)14-5-13-31-16-18-36-19-17-31)24-10-11-26(29)23(20-24)9-8-22-6-3-2-4-7-22/h2-4,6-7,10-11,20H,5,12-19,21H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 610n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33978
PNG
(arylalkyne pyrazole-based compound, 9)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1cccs1
Show InChI InChI=1S/C26H29ClN4O3S2/c1-36(32,33)30-12-9-25-23(19-30)26(28-31(25)11-3-10-29-13-15-34-16-14-29)21-6-8-24(27)20(18-21)5-7-22-4-2-17-35-22/h2,4,6,8,17-18H,3,9-16,19H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 790n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33979
PNG
(arylalkyne pyrazole-based compound, 10)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccsc1
Show InChI InChI=1S/C26H29ClN4O3S2/c1-36(32,33)30-11-7-25-23(18-30)26(28-31(25)10-2-9-29-12-14-34-15-13-29)22-5-6-24(27)21(17-22)4-3-20-8-16-35-19-20/h5-6,8,16-17,19H,2,7,9-15,18H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33980
PNG
(arylalkyne pyrazole-based compound, 11)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#C
Show InChI InChI=1S/C22H27ClN4O3S/c1-3-17-15-18(5-6-20(17)23)22-19-16-26(31(2,28)29)10-7-21(19)27(24-22)9-4-8-25-11-13-30-14-12-25/h1,5-6,15H,4,7-14,16H2,2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.40E+3n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33981
PNG
(arylalkyne pyrazole-based compound, 12)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccccc1Cl
Show InChI InChI=1S/C28H30Cl2N4O3S/c1-38(35,36)33-14-11-27-24(20-33)28(31-34(27)13-4-12-32-15-17-37-18-16-32)23-9-10-26(30)22(19-23)8-7-21-5-2-3-6-25(21)29/h2-3,5-6,9-10,19H,4,11-18,20H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 720n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33982
PNG
(arylalkyne pyrazole-based compound, 13)
Show SMILES Cc1ccccc1C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)S(C)(=O)=O
Show InChI InChI=1S/C29H33ClN4O3S/c1-22-6-3-4-7-23(22)8-9-24-20-25(10-11-27(24)30)29-26-21-33(38(2,35)36)15-12-28(26)34(31-29)14-5-13-32-16-18-37-19-17-32/h3-4,6-7,10-11,20H,5,12-19,21H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33983
PNG
(arylalkyne pyrazole-based compound, 14)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccccc1C(F)(F)F
Show InChI InChI=1S/C29H30ClF3N4O3S/c1-41(38,39)36-14-11-27-24(20-36)28(34-37(27)13-4-12-35-15-17-40-18-16-35)23-9-10-26(30)22(19-23)8-7-21-5-2-3-6-25(21)29(31,32)33/h2-3,5-6,9-10,19H,4,11-18,20H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 870n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33984
PNG
(arylalkyne pyrazole-based compound, 15)
Show SMILES COc1ccccc1C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)S(C)(=O)=O
Show InChI InChI=1S/C29H33ClN4O4S/c1-37-28-7-4-3-6-22(28)8-9-23-20-24(10-11-26(23)30)29-25-21-33(39(2,35)36)15-12-27(25)34(31-29)14-5-13-32-16-18-38-19-17-32/h3-4,6-7,10-11,20H,5,12-19,21H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 550n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33985
PNG
(arylalkyne pyrazole-based compound, 16)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C28H30Cl2N4O3S/c1-38(35,36)33-13-10-27-25(20-33)28(31-34(27)12-3-11-32-14-16-37-17-15-32)23-8-9-26(30)22(19-23)7-6-21-4-2-5-24(29)18-21/h2,4-5,8-9,18-19H,3,10-17,20H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 700n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33986
PNG
(arylalkyne pyrazole-based compound, 17)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H30ClF3N4O3S/c1-41(38,39)36-13-10-27-25(20-36)28(34-37(27)12-3-11-35-14-16-40-17-15-35)23-8-9-26(30)22(19-23)7-6-21-4-2-5-24(18-21)29(31,32)33/h2,4-5,8-9,18-19H,3,10-17,20H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM33974
PNG
(arylalkyne pyrazole-based compound, 5)
Show SMILES CCCCC#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)S(C)(=O)=O
Show InChI InChI=1S/C26H35ClN4O3S/c1-3-4-5-6-8-21-19-22(9-10-24(21)27)26-23-20-30(35(2,32)33)14-11-25(23)31(28-26)13-7-12-29-15-17-34-18-16-29/h9-10,19H,3-5,7,11-18,20H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.10E+4n/an/an/an/a5.023



Johnson & Johnson Pharmaceutical



Assay Description
Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves betwe...


Bioorg Med Chem Lett 19: 6131-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.014
BindingDB Entry DOI: 10.7270/Q2251GHV
More data for this
Ligand-Target Pair