BindingDB logo
myBDB logout

10 similar compounds to monomer 50323267

Compile data set for download or QSAR
Wt: 389.3
BDBM50323249
Wt: 409.3
BDBM50323255
Wt: 409.3
BDBM50323256
Wt: 409.3
BDBM50323257
Wt: 346.3
BDBM50323260
Wt: 362.3
BDBM50323268
Wt: 346.3
BDBM50323269
Wt: 348.2
BDBM50323270
Wt: 332.2
BDBM50323271
Wt: 318.2
BDBM50323272

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50323249,50323255,50323256,50323257,50323260,50323268,50323269,50323270,50323271,50323272   
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


(Mus musculus (Mouse))
BDBM50323257
PNG
(1-methyl-6-(4-(pyridin-2-ylmethoxy)-3-(trifluorome...)
Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCc2ccccn2)c(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C21H14F3N5O/c1-29-12-27-20-17(10-25)28-16(9-18(20)29)13-5-6-19(15(8-13)21(22,23)24)30-11-14-4-2-3-7-26-14/h2-9,12H,11H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse cathepsin S by fluorescence assay


Bioorg Med Chem Lett 20: 4350-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.072
BindingDB Entry DOI: 10.7270/Q2028RR9
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50323272
PNG
(6-(4-methoxy-3-(trifluoromethyl)phenyl)-1H-imidazo...)
Show SMILES COc1ccc(cc1C(F)(F)F)-c1cc2nc[nH]c2c(n1)C#N
Show InChI InChI=1S/C15H9F3N4O/c1-23-13-3-2-8(4-9(13)15(16,17)18)10-5-11-14(21-7-20-11)12(6-19)22-10/h2-5,7H,1H3,(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 339n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by fluorescence assay


Bioorg Med Chem Lett 20: 4350-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.072
BindingDB Entry DOI: 10.7270/Q2028RR9
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50323249
PNG
(6-(4-(2-(dimethylamino)ethoxy)-3-(trifluoromethyl)...)
Show SMILES CN(C)CCOc1ccc(cc1C(F)(F)F)-c1cc2n(C)cnc2c(n1)C#N
Show InChI InChI=1S/C19H18F3N5O/c1-26(2)6-7-28-17-5-4-12(8-13(17)19(20,21)22)14-9-16-18(15(10-23)25-14)24-11-27(16)3/h4-5,8-9,11H,6-7H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.89E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 4350-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.072
BindingDB Entry DOI: 10.7270/Q2028RR9
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50323255
PNG
(1-methyl-6-(4-(pyridin-4-ylmethoxy)-3-(trifluorome...)
Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCc2ccncc2)c(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C21H14F3N5O/c1-29-12-27-20-17(10-25)28-16(9-18(20)29)14-2-3-19(15(8-14)21(22,23)24)30-11-13-4-6-26-7-5-13/h2-9,12H,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 4350-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.072
BindingDB Entry DOI: 10.7270/Q2028RR9
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50323256
PNG
(1-methyl-6-(4-(pyridin-3-ylmethoxy)-3-(trifluorome...)
Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCc2cccnc2)c(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C21H14F3N5O/c1-29-12-27-20-17(9-25)28-16(8-18(20)29)14-4-5-19(15(7-14)21(22,23)24)30-11-13-3-2-6-26-10-13/h2-8,10,12H,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 4350-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.072
BindingDB Entry DOI: 10.7270/Q2028RR9
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50323257
PNG
(1-methyl-6-(4-(pyridin-2-ylmethoxy)-3-(trifluorome...)
Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCc2ccccn2)c(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C21H14F3N5O/c1-29-12-27-20-17(10-25)28-16(9-18(20)29)13-5-6-19(15(8-13)21(22,23)24)30-11-14-4-2-3-7-26-14/h2-9,12H,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.29E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 4350-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.072
BindingDB Entry DOI: 10.7270/Q2028RR9
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50323260
PNG
(6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1-methyl-1H...)
Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1cc2n(C)cnc2c(n1)C#N
Show InChI InChI=1S/C17H13F3N4O/c1-3-25-15-5-4-10(6-11(15)17(18,19)20)12-7-14-16(13(8-21)23-12)22-9-24(14)2/h4-7,9H,3H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.26E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 4350-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.072
BindingDB Entry DOI: 10.7270/Q2028RR9
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50323268
PNG
(6-(4-(3-hydroxypropoxy)-3-(trifluoromethyl)phenyl)...)
Show SMILES OCCCOc1ccc(cc1C(F)(F)F)-c1cc2nc[nH]c2c(n1)C#N
Show InChI InChI=1S/C17H13F3N4O2/c18-17(19,20)11-6-10(2-3-15(11)26-5-1-4-25)12-7-13-16(23-9-22-13)14(8-21)24-12/h2-3,6-7,9,25H,1,4-5H2,(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.69E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 4350-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.072
BindingDB Entry DOI: 10.7270/Q2028RR9
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50323269
PNG
(6-(4-propoxy-3-(trifluoromethyl)phenyl)-1H-imidazo...)
Show SMILES CCCOc1ccc(cc1C(F)(F)F)-c1cc2nc[nH]c2c(n1)C#N
Show InChI InChI=1S/C17H13F3N4O/c1-2-5-25-15-4-3-10(6-11(15)17(18,19)20)12-7-13-16(23-9-22-13)14(8-21)24-12/h3-4,6-7,9H,2,5H2,1H3,(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.76E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 4350-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.072
BindingDB Entry DOI: 10.7270/Q2028RR9
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50323270
PNG
(6-(4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl)-...)
Show SMILES OCCOc1ccc(cc1C(F)(F)F)-c1cc2nc[nH]c2c(n1)C#N
Show InChI InChI=1S/C16H11F3N4O2/c17-16(18,19)10-5-9(1-2-14(10)25-4-3-24)11-6-12-15(22-8-21-12)13(7-20)23-11/h1-2,5-6,8,24H,3-4H2,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.82E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 4350-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.072
BindingDB Entry DOI: 10.7270/Q2028RR9
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50323271
PNG
(6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1H-imidazo[...)
Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1cc2nc[nH]c2c(n1)C#N
Show InChI InChI=1S/C16H11F3N4O/c1-2-24-14-4-3-9(5-10(14)16(17,18)19)11-6-12-15(22-8-21-12)13(7-20)23-11/h3-6,8H,2H2,1H3,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.31E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 4350-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.072
BindingDB Entry DOI: 10.7270/Q2028RR9
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50323272
PNG
(6-(4-methoxy-3-(trifluoromethyl)phenyl)-1H-imidazo...)
Show SMILES COc1ccc(cc1C(F)(F)F)-c1cc2nc[nH]c2c(n1)C#N
Show InChI InChI=1S/C15H9F3N4O/c1-23-13-3-2-8(4-9(13)15(16,17)18)10-5-11-14(21-7-20-11)12(6-19)22-10/h2-5,7H,1H3,(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.51E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 4350-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.072
BindingDB Entry DOI: 10.7270/Q2028RR9
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50323249
PNG
(6-(4-(2-(dimethylamino)ethoxy)-3-(trifluoromethyl)...)
Show SMILES CN(C)CCOc1ccc(cc1C(F)(F)F)-c1cc2n(C)cnc2c(n1)C#N
Show InChI InChI=1S/C19H18F3N5O/c1-26(2)6-7-28-17-5-4-12(8-13(17)19(20,21)22)14-9-16-18(15(10-23)25-14)24-11-27(16)3/h4-5,8-9,11H,6-7H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 209n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by fluorescence assay


Bioorg Med Chem Lett 20: 4350-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.072
BindingDB Entry DOI: 10.7270/Q2028RR9
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50323255
PNG
(1-methyl-6-(4-(pyridin-4-ylmethoxy)-3-(trifluorome...)
Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCc2ccncc2)c(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C21H14F3N5O/c1-29-12-27-20-17(10-25)28-16(9-18(20)29)14-2-3-19(15(8-14)21(22,23)24)30-11-13-4-6-26-7-5-13/h2-9,12H,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by fluorescence assay


Bioorg Med Chem Lett 20: 4350-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.072
BindingDB Entry DOI: 10.7270/Q2028RR9
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50323256
PNG
(1-methyl-6-(4-(pyridin-3-ylmethoxy)-3-(trifluorome...)
Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCc2cccnc2)c(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C21H14F3N5O/c1-29-12-27-20-17(9-25)28-16(8-18(20)29)14-4-5-19(15(7-14)21(22,23)24)30-11-13-3-2-6-26-10-13/h2-8,10,12H,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by fluorescence assay


Bioorg Med Chem Lett 20: 4350-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.072
BindingDB Entry DOI: 10.7270/Q2028RR9
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50323257
PNG
(1-methyl-6-(4-(pyridin-2-ylmethoxy)-3-(trifluorome...)
Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCc2ccccn2)c(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C21H14F3N5O/c1-29-12-27-20-17(10-25)28-16(9-18(20)29)13-5-6-19(15(8-13)21(22,23)24)30-11-14-4-2-3-7-26-14/h2-9,12H,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by fluorescence assay


Bioorg Med Chem Lett 20: 4350-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.072
BindingDB Entry DOI: 10.7270/Q2028RR9
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50323260
PNG
(6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1-methyl-1H...)
Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1cc2n(C)cnc2c(n1)C#N
Show InChI InChI=1S/C17H13F3N4O/c1-3-25-15-5-4-10(6-11(15)17(18,19)20)12-7-14-16(13(8-21)23-12)22-9-24(14)2/h4-7,9H,3H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by fluorescence assay


Bioorg Med Chem Lett 20: 4350-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.072
BindingDB Entry DOI: 10.7270/Q2028RR9
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50323268
PNG
(6-(4-(3-hydroxypropoxy)-3-(trifluoromethyl)phenyl)...)
Show SMILES OCCCOc1ccc(cc1C(F)(F)F)-c1cc2nc[nH]c2c(n1)C#N
Show InChI InChI=1S/C17H13F3N4O2/c18-17(19,20)11-6-10(2-3-15(11)26-5-1-4-25)12-7-13-16(23-9-22-13)14(8-21)24-12/h2-3,6-7,9,25H,1,4-5H2,(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 63n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by fluorescence assay


Bioorg Med Chem Lett 20: 4350-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.072
BindingDB Entry DOI: 10.7270/Q2028RR9
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50323269
PNG
(6-(4-propoxy-3-(trifluoromethyl)phenyl)-1H-imidazo...)
Show SMILES CCCOc1ccc(cc1C(F)(F)F)-c1cc2nc[nH]c2c(n1)C#N
Show InChI InChI=1S/C17H13F3N4O/c1-2-5-25-15-4-3-10(6-11(15)17(18,19)20)12-7-13-16(23-9-22-13)14(8-21)24-12/h3-4,6-7,9H,2,5H2,1H3,(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by fluorescence assay


Bioorg Med Chem Lett 20: 4350-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.072
BindingDB Entry DOI: 10.7270/Q2028RR9
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50323270
PNG
(6-(4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl)-...)
Show SMILES OCCOc1ccc(cc1C(F)(F)F)-c1cc2nc[nH]c2c(n1)C#N
Show InChI InChI=1S/C16H11F3N4O2/c17-16(18,19)10-5-9(1-2-14(10)25-4-3-24)11-6-12-15(22-8-21-12)13(7-20)23-11/h1-2,5-6,8,24H,3-4H2,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 145n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by fluorescence assay


Bioorg Med Chem Lett 20: 4350-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.072
BindingDB Entry DOI: 10.7270/Q2028RR9
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50323271
PNG
(6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1H-imidazo[...)
Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1cc2nc[nH]c2c(n1)C#N
Show InChI InChI=1S/C16H11F3N4O/c1-2-24-14-4-3-9(5-10(14)16(17,18)19)11-6-12-15(22-8-21-12)13(7-20)23-11/h3-6,8H,2H2,1H3,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by fluorescence assay


Bioorg Med Chem Lett 20: 4350-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.072
BindingDB Entry DOI: 10.7270/Q2028RR9
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50323257
PNG
(1-methyl-6-(4-(pyridin-2-ylmethoxy)-3-(trifluorome...)
Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCc2ccccn2)c(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C21H14F3N5O/c1-29-12-27-20-17(10-25)28-16(9-18(20)29)13-5-6-19(15(8-13)21(22,23)24)30-11-14-4-2-3-7-26-14/h2-9,12H,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 853n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S-mediated proteolytic cleavage of MHC2 associated invariant chain in human JY cells assessed as accumulation of lip10 by Wes...


Bioorg Med Chem Lett 20: 4350-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.072
BindingDB Entry DOI: 10.7270/Q2028RR9
More data for this
Ligand-Target Pair