Found 83 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Cathepsin S
(Mus musculus (Mouse)) | BDBM50323257
(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
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/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
(Mus musculus (Mouse)) | BDBM50323244
(6-(4-(3-(4-ethylpiperazin-1-yl)propoxy)-3-(trifluo...)Show SMILES CCN1CCN(CCCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C24H27F3N6O/c1-3-32-8-10-33(11-9-32)7-4-12-34-22-6-5-17(13-18(22)24(25,26)27)19-14-21-23(20(15-28)30-19)29-16-31(21)2/h5-6,13-14,16H,3-4,7-12H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/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
(Mus musculus (Mouse)) | BDBM50323247
(6-(4-(3-(dimethylamino)propoxy)-3-(trifluoromethyl...)Show SMILES CN(C)CCCOc1ccc(cc1C(F)(F)F)-c1cc2n(C)cnc2c(n1)C#N Show InChI InChI=1S/C20H20F3N5O/c1-27(2)7-4-8-29-18-6-5-13(9-14(18)20(21,22)23)15-10-17-19(16(11-24)26-15)25-12-28(17)3/h5-6,9-10,12H,4,7-8H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323087
(2-(4-ethoxy-3-(trifluoromethyl)phenyl)-9H-purine-6...)Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1nc(C#N)c2[nH]cnc2n1 Show InChI InChI=1S/C15H10F3N5O/c1-2-24-11-4-3-8(5-9(11)15(16,17)18)13-22-10(6-19)12-14(23-13)21-7-20-12/h3-5,7H,2H2,1H3,(H,20,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/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
(Mus musculus (Mouse)) | BDBM50323244
(6-(4-(3-(4-ethylpiperazin-1-yl)propoxy)-3-(trifluo...)Show SMILES CCN1CCN(CCCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C24H27F3N6O/c1-3-32-8-10-33(11-9-32)7-4-12-34-22-6-5-17(13-18(22)24(25,26)27)19-14-21-23(20(15-28)30-19)29-16-31(21)2/h5-6,13-14,16H,3-4,7-12H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S-mediated proteolytic cleavage of MHC2 associated invariant chain in mouse splenocytes assessed as accumulation of lip10 by ... |
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)) | BDBM50323244
(6-(4-(3-(4-ethylpiperazin-1-yl)propoxy)-3-(trifluo...)Show SMILES CCN1CCN(CCCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C24H27F3N6O/c1-3-32-8-10-33(11-9-32)7-4-12-34-22-6-5-17(13-18(22)24(25,26)27)19-14-21-23(20(15-28)30-19)29-16-31(21)2/h5-6,13-14,16H,3-4,7-12H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323248
(1-methyl-6-(4-(2-(3-oxopiperazin-1-yl)ethoxy)-3-(t...)Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCCN2CCNC(=O)C2)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C21H19F3N6O2/c1-29-12-27-20-16(10-25)28-15(9-17(20)29)13-2-3-18(14(8-13)21(22,23)24)32-7-6-30-5-4-26-19(31)11-30/h2-3,8-9,12H,4-7,11H2,1H3,(H,26,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323253
(1-methyl-6-(4-(2-(2-oxopyrrolidin-1-yl)ethoxy)-3-(...)Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCCN2CCCC2=O)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C21H18F3N5O2/c1-28-12-26-20-16(11-25)27-15(10-17(20)28)13-4-5-18(14(9-13)21(22,23)24)31-8-7-29-6-2-3-19(29)30/h4-5,9-10,12H,2-3,6-8H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323250
(1-methyl-6-(4-(2-(piperidin-4-yl)ethoxy)-3-(triflu...)Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCCC2CCNCC2)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C22H22F3N5O/c1-30-13-28-21-18(12-26)29-17(11-19(21)30)15-2-3-20(16(10-15)22(23,24)25)31-9-6-14-4-7-27-8-5-14/h2-3,10-11,13-14,27H,4-9H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323250
(1-methyl-6-(4-(2-(piperidin-4-yl)ethoxy)-3-(triflu...)Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCCC2CCNCC2)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C22H22F3N5O/c1-30-13-28-21-18(12-26)29-17(11-19(21)30)15-2-3-20(16(10-15)22(23,24)25)31-9-6-14-4-7-27-8-5-14/h2-3,10-11,13-14,27H,4-9H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323245
(1-methyl-6-(4-(3-(4-methylpiperazin-1-yl)propoxy)-...)Show SMILES CN1CCN(CCCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C23H25F3N6O/c1-30-7-9-32(10-8-30)6-3-11-33-21-5-4-16(12-17(21)23(24,25)26)18-13-20-22(19(14-27)29-18)28-15-31(20)2/h4-5,12-13,15H,3,6-11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323254
(1-methyl-6-(4-(2-(6-methylpyridin-2-yl)ethoxy)-3-(...)Show SMILES Cc1cccc(CCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)n1 Show InChI InChI=1S/C23H18F3N5O/c1-14-4-3-5-16(29-14)8-9-32-21-7-6-15(10-17(21)23(24,25)26)18-11-20-22(19(12-27)30-18)28-13-31(20)2/h3-7,10-11,13H,8-9H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323251
(1-methyl-6-(4-(piperidin-4-ylmethoxy)-3-(trifluoro...)Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCC2CCNCC2)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C21H20F3N5O/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/h2-3,8-9,12-13,26H,4-7,11H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323258
(6-(4-(3-hydroxypropyl)-3-(trifluoromethyl)phenyl)-...)Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(CCCO)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C18H15F3N4O/c1-25-10-23-17-15(9-22)24-14(8-16(17)25)12-5-4-11(3-2-6-26)13(7-12)18(19,20)21/h4-5,7-8,10,26H,2-3,6H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323261
(1-(3-(dimethylamino)propyl)-6-(4-ethoxy-3-(trifluo...)Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1cc2n(CCCN(C)C)cnc2c(n1)C#N Show InChI InChI=1S/C21H22F3N5O/c1-4-30-19-7-6-14(10-15(19)21(22,23)24)16-11-18-20(17(12-25)27-16)26-13-29(18)9-5-8-28(2)3/h6-7,10-11,13H,4-5,8-9H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323246
(1-methyl-6-(4-(3-(pyrrolidin-1-yl)propoxy)-3-(trif...)Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCCCN2CCCC2)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C22H22F3N5O/c1-29-14-27-21-18(13-26)28-17(12-19(21)29)15-5-6-20(16(11-15)22(23,24)25)31-10-4-9-30-7-2-3-8-30/h5-6,11-12,14H,2-4,7-10H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50322925
(6-(4-(2-(2-oxopyrrolidin-1-yl)ethoxy)-3-(trifluoro...)Show SMILES FC(F)(F)c1cc(ccc1OCCN1CCCC1=O)-c1cccc(n1)C#N Show InChI InChI=1S/C19H16F3N3O2/c20-19(21,22)15-11-13(16-4-1-3-14(12-23)24-16)6-7-17(15)27-10-9-25-8-2-5-18(25)26/h1,3-4,6-7,11H,2,5,8-10H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323263
(1-(2-(dimethylamino)ethyl)-6-(4-ethoxy-3-(trifluor...)Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1cc2n(CCN(C)C)cnc2c(n1)C#N Show InChI InChI=1S/C20H20F3N5O/c1-4-29-18-6-5-13(9-14(18)20(21,22)23)15-10-17-19(16(11-24)26-15)25-12-28(17)8-7-27(2)3/h5-6,9-10,12H,4,7-8H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323262
(6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1-(3-morpho...)Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1cc2n(CCCN3CCOCC3)cnc2c(n1)C#N Show InChI InChI=1S/C23H24F3N5O2/c1-2-33-21-5-4-16(12-17(21)23(24,25)26)18-13-20-22(19(14-27)29-18)28-15-31(20)7-3-6-30-8-10-32-11-9-30/h4-5,12-13,15H,2-3,6-11H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323264
(6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1-(2-morpho...)Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1cc2n(CCN3CCOCC3)cnc2c(n1)C#N Show InChI InChI=1S/C22H22F3N5O2/c1-2-32-20-4-3-15(11-16(20)22(23,24)25)17-12-19-21(18(13-26)28-17)27-14-30(19)6-5-29-7-9-31-10-8-29/h3-4,11-12,14H,2,5-10H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323247
(6-(4-(3-(dimethylamino)propoxy)-3-(trifluoromethyl...)Show SMILES CN(C)CCCOc1ccc(cc1C(F)(F)F)-c1cc2n(C)cnc2c(n1)C#N Show InChI InChI=1S/C20H20F3N5O/c1-27(2)7-4-8-29-18-6-5-13(9-14(18)20(21,22)23)15-10-17-19(16(11-24)26-15)25-12-28(17)3/h5-6,9-10,12H,4,7-8H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323244
(6-(4-(3-(4-ethylpiperazin-1-yl)propoxy)-3-(trifluo...)Show SMILES CCN1CCN(CCCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C24H27F3N6O/c1-3-32-8-10-33(11-9-32)7-4-12-34-22-6-5-17(13-18(22)24(25,26)27)19-14-21-23(20(15-28)30-19)29-16-31(21)2/h5-6,13-14,16H,3-4,7-12H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323259
(6-(4-(2-hydroxyethyl)-3-(trifluoromethyl)phenyl)-1...)Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(CCO)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C17H13F3N4O/c1-24-9-22-16-14(8-21)23-13(7-15(16)24)11-3-2-10(4-5-25)12(6-11)17(18,19)20/h2-3,6-7,9,25H,4-5H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323247
(6-(4-(3-(dimethylamino)propoxy)-3-(trifluoromethyl...)Show SMILES CN(C)CCCOc1ccc(cc1C(F)(F)F)-c1cc2n(C)cnc2c(n1)C#N Show InChI InChI=1S/C20H20F3N5O/c1-27(2)7-4-8-29-18-6-5-13(9-14(18)20(21,22)23)15-10-17-19(16(11-24)26-15)25-12-28(17)3/h5-6,9-10,12H,4,7-8H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50323246
(1-methyl-6-(4-(3-(pyrrolidin-1-yl)propoxy)-3-(trif...)Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCCCN2CCCC2)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C22H22F3N5O/c1-29-14-27-21-18(13-26)28-17(12-19(21)29)15-5-6-20(16(11-15)22(23,24)25)31-10-4-9-30-7-2-3-8-30/h5-6,11-12,14H,2-4,7-10H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50323266
(6-(4-(ethylamino)-3-(trifluoromethyl)phenyl)-1H-im...)Show SMILES CCNc1ccc(cc1C(F)(F)F)-c1cc2[nH]cnc2c(n1)C#N Show InChI InChI=1S/C16H12F3N5/c1-2-21-11-4-3-9(5-10(11)16(17,18)19)12-6-13-15(23-8-22-13)14(7-20)24-12/h3-6,8,21H,2H2,1H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323245
(1-methyl-6-(4-(3-(4-methylpiperazin-1-yl)propoxy)-...)Show SMILES CN1CCN(CCCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C23H25F3N6O/c1-30-7-9-32(10-8-30)6-3-11-33-21-5-4-16(12-17(21)23(24,25)26)18-13-20-22(19(14-27)29-18)28-15-31(20)2/h4-5,12-13,15H,3,6-11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 106 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 145 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323250
(1-methyl-6-(4-(2-(piperidin-4-yl)ethoxy)-3-(triflu...)Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCCC2CCNCC2)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C22H22F3N5O/c1-30-13-28-21-18(12-26)29-17(11-19(21)30)15-2-3-20(16(10-15)22(23,24)25)31-9-6-14-4-7-27-8-5-14/h2-3,10-11,13-14,27H,4-9H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 178 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323269
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323249
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 209 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323251
(1-methyl-6-(4-(piperidin-4-ylmethoxy)-3-(trifluoro...)Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCC2CCNCC2)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C21H20F3N5O/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/h2-3,8-9,12-13,26H,4-7,11H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323261
(1-(3-(dimethylamino)propyl)-6-(4-ethoxy-3-(trifluo...)Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1cc2n(CCCN(C)C)cnc2c(n1)C#N Show InChI InChI=1S/C21H22F3N5O/c1-4-30-19-7-6-14(10-15(19)21(22,23)24)16-11-18-20(17(12-25)27-16)26-13-29(18)9-5-8-28(2)3/h6-7,10-11,13H,4-5,8-9H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323254
(1-methyl-6-(4-(2-(6-methylpyridin-2-yl)ethoxy)-3-(...)Show SMILES Cc1cccc(CCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)n1 Show InChI InChI=1S/C23H18F3N5O/c1-14-4-3-5-16(29-14)8-9-32-21-7-6-15(10-17(21)23(24,25)26)18-11-20-22(19(12-27)30-18)28-13-31(20)2/h3-7,10-11,13H,8-9H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 267 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50323261
(1-(3-(dimethylamino)propyl)-6-(4-ethoxy-3-(trifluo...)Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1cc2n(CCCN(C)C)cnc2c(n1)C#N Show InChI InChI=1S/C21H22F3N5O/c1-4-30-19-7-6-14(10-15(19)21(22,23)24)16-11-18-20(17(12-25)27-16)26-13-29(18)9-5-8-28(2)3/h6-7,10-11,13H,4-5,8-9H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323252
(1-methyl-6-(4-(piperidin-4-yloxy)-3-(trifluorometh...)Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OC2CCNCC2)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C20H18F3N5O/c1-28-11-26-19-16(10-24)27-15(9-17(19)28)12-2-3-18(14(8-12)20(21,22)23)29-13-4-6-25-7-5-13/h2-3,8-9,11,13,25H,4-7H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 316 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323244
(6-(4-(3-(4-ethylpiperazin-1-yl)propoxy)-3-(trifluo...)Show SMILES CCN1CCN(CCCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C24H27F3N6O/c1-3-32-8-10-33(11-9-32)7-4-12-34-22-6-5-17(13-18(22)24(25,26)27)19-14-21-23(20(15-28)30-19)29-16-31(21)2/h5-6,13-14,16H,3-4,7-12H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 331 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323272
(6-(4-methoxy-3-(trifluoromethyl)phenyl)-1H-imidazo...)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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 339 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323263
(1-(2-(dimethylamino)ethyl)-6-(4-ethoxy-3-(trifluor...)Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1cc2n(CCN(C)C)cnc2c(n1)C#N Show InChI InChI=1S/C20H20F3N5O/c1-4-29-18-6-5-13(9-14(18)20(21,22)23)15-10-17-19(16(11-24)26-15)25-12-28(17)8-7-27(2)3/h5-6,9-10,12H,4,7-8H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 447 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323245
(1-methyl-6-(4-(3-(4-methylpiperazin-1-yl)propoxy)-...)Show SMILES CN1CCN(CCCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C23H25F3N6O/c1-30-7-9-32(10-8-30)6-3-11-33-21-5-4-16(12-17(21)23(24,25)26)18-13-20-22(19(14-27)29-18)28-15-31(20)2/h4-5,12-13,15H,3,6-11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 468 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323262
(6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1-(3-morpho...)Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1cc2n(CCCN3CCOCC3)cnc2c(n1)C#N Show InChI InChI=1S/C23H24F3N5O2/c1-2-33-21-5-4-16(12-17(21)23(24,25)26)18-13-20-22(19(14-27)29-18)28-15-31(20)7-3-6-30-8-10-32-11-9-30/h4-5,12-13,15H,2-3,6-11H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 513 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323243
(1-methyl-6-(4-(2-(2-oxopyrrolidin-1-yl)ethoxy)-3-(...)Show SMILES Cn1ccc2c(nc(cc12)-c1ccc(OCCN2CCCC2=O)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C22H19F3N4O2/c1-28-8-6-15-18(13-26)27-17(12-19(15)28)14-4-5-20(16(11-14)22(23,24)25)31-10-9-29-7-2-3-21(29)30/h4-6,8,11-12H,2-3,7,9-10H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 661 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323267
(6-(4-(benzyloxy)-3-(trifluoromethyl)phenyl)-1H-imi...)Show SMILES FC(F)(F)c1cc(ccc1OCc1ccccc1)-c1cc2[nH]cnc2c(n1)C#N Show InChI InChI=1S/C21H13F3N4O/c22-21(23,24)15-8-14(6-7-19(15)29-11-13-4-2-1-3-5-13)16-9-17-20(27-12-26-17)18(10-25)28-16/h1-9,12H,11H2,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 676 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323247
(6-(4-(3-(dimethylamino)propoxy)-3-(trifluoromethyl...)Show SMILES CN(C)CCCOc1ccc(cc1C(F)(F)F)-c1cc2n(C)cnc2c(n1)C#N Show InChI InChI=1S/C20H20F3N5O/c1-27(2)7-4-8-29-18-6-5-13(9-14(18)20(21,22)23)15-10-17-19(16(11-24)26-15)25-12-28(17)3/h5-6,9-10,12H,4,7-8H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 776 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323257
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 853 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50323263
(1-(2-(dimethylamino)ethyl)-6-(4-ethoxy-3-(trifluor...)Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1cc2n(CCN(C)C)cnc2c(n1)C#N Show InChI InChI=1S/C20H20F3N5O/c1-4-29-18-6-5-13(9-14(18)20(21,22)23)15-10-17-19(16(11-24)26-15)25-12-28(17)8-7-27(2)3/h5-6,9-10,12H,4,7-8H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 854 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50323246
(1-methyl-6-(4-(3-(pyrrolidin-1-yl)propoxy)-3-(trif...)Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCCCN2CCCC2)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C22H22F3N5O/c1-29-14-27-21-18(13-26)28-17(12-19(21)29)15-5-6-20(16(11-15)22(23,24)25)31-10-4-9-30-7-2-3-8-30/h5-6,11-12,14H,2-4,7-10H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 871 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323252
(1-methyl-6-(4-(piperidin-4-yloxy)-3-(trifluorometh...)Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OC2CCNCC2)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C20H18F3N5O/c1-28-11-26-19-16(10-24)27-15(9-17(19)28)12-2-3-18(14(8-12)20(21,22)23)29-13-4-6-25-7-5-13/h2-3,8-9,11,13,25H,4-7H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 891 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323273
(6-(3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyr...)Show InChI InChI=1S/C14H7F3N4/c15-14(16,17)9-3-1-2-8(4-9)10-5-11-13(20-7-19-11)12(6-18)21-10/h1-5,7H,(H,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323258
(6-(4-(3-hydroxypropyl)-3-(trifluoromethyl)phenyl)-...)Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(CCCO)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C18H15F3N4O/c1-25-10-23-17-15(9-22)24-14(8-16(17)25)12-5-4-11(3-2-6-26)13(7-12)18(19,20)21/h4-5,7-8,10,26H,2-3,6H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323087
(2-(4-ethoxy-3-(trifluoromethyl)phenyl)-9H-purine-6...)Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1nc(C#N)c2[nH]cnc2n1 Show InChI InChI=1S/C15H10F3N5O/c1-2-24-11-4-3-8(5-9(11)15(16,17)18)13-22-10(6-19)12-14(23-13)21-7-20-12/h3-5,7H,2H2,1H3,(H,20,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323248
(1-methyl-6-(4-(2-(3-oxopiperazin-1-yl)ethoxy)-3-(t...)Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCCN2CCNC(=O)C2)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C21H19F3N6O2/c1-29-12-27-20-16(10-25)28-15(9-17(20)29)13-2-3-18(14(8-13)21(22,23)24)32-7-6-30-5-4-26-19(31)11-30/h2-3,8-9,12H,4-7,11H2,1H3,(H,26,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323253
(1-methyl-6-(4-(2-(2-oxopyrrolidin-1-yl)ethoxy)-3-(...)Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCCN2CCCC2=O)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C21H18F3N5O2/c1-28-12-26-20-16(11-25)27-15(10-17(20)28)13-4-5-18(14(9-13)21(22,23)24)31-8-7-29-6-2-3-19(29)30/h4-5,9-10,12H,2-3,6-8H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.42E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50323264
(6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1-(2-morpho...)Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1cc2n(CCN3CCOCC3)cnc2c(n1)C#N Show InChI InChI=1S/C22H22F3N5O2/c1-2-32-20-4-3-15(11-16(20)22(23,24)25)17-12-19-21(18(13-26)28-17)27-14-30(19)6-5-29-7-9-31-10-8-29/h3-4,11-12,14H,2,5-10H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.66E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50322921
(6-(4-ethoxy-3-(trifluoromethyl)phenyl)picolinonitr...)Show InChI InChI=1S/C15H11F3N2O/c1-2-21-14-7-6-10(8-12(14)15(16,17)18)13-5-3-4-11(9-19)20-13/h3-8H,2H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.66E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323273
(6-(3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyr...)Show InChI InChI=1S/C14H7F3N4/c15-14(16,17)9-3-1-2-8(4-9)10-5-11-13(20-7-19-11)12(6-18)21-10/h1-5,7H,(H,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323254
(1-methyl-6-(4-(2-(6-methylpyridin-2-yl)ethoxy)-3-(...)Show SMILES Cc1cccc(CCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)n1 Show InChI InChI=1S/C23H18F3N5O/c1-14-4-3-5-16(29-14)8-9-32-21-7-6-15(10-17(21)23(24,25)26)18-11-20-22(19(12-27)30-18)28-13-31(20)2/h3-7,10-11,13H,8-9H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.04E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.29E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323253
(1-methyl-6-(4-(2-(2-oxopyrrolidin-1-yl)ethoxy)-3-(...)Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCCN2CCCC2=O)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C21H18F3N5O2/c1-28-12-26-20-16(11-25)27-15(10-17(20)28)13-4-5-18(14(9-13)21(22,23)24)31-8-7-29-6-2-3-19(29)30/h4-5,9-10,12H,2-3,6-8H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.51E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.69E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.82E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323259
(6-(4-(2-hydroxyethyl)-3-(trifluoromethyl)phenyl)-1...)Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(CCO)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C17H13F3N4O/c1-24-9-22-16-14(8-21)23-13(7-15(16)24)11-3-2-10(4-5-25)12(6-11)17(18,19)20/h2-3,6-7,9,25H,4-5H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323265
(CHEMBL1208847 | N-(4-(4-cyano-1H-imidazo[4,5-c]pyr...)Show SMILES CC(=O)Nc1ccc(cc1C(F)(F)F)-c1cc2nc[nH]c2c(n1)C#N Show InChI InChI=1S/C16H10F3N5O/c1-8(25)23-11-3-2-9(4-10(11)16(17,18)19)12-5-13-15(22-7-21-13)14(6-20)24-12/h2-5,7H,1H3,(H,21,22)(H,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.24E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.89E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.76E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.31E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(6-(4-methoxy-3-(trifluoromethyl)phenyl)-1H-imidazo...)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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.51E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50322925
(6-(4-(2-(2-oxopyrrolidin-1-yl)ethoxy)-3-(trifluoro...)Show SMILES FC(F)(F)c1cc(ccc1OCCN1CCCC1=O)-c1cccc(n1)C#N Show InChI InChI=1S/C19H16F3N3O2/c20-19(21,22)15-11-13(16-4-1-3-14(12-23)24-16)6-7-17(15)27-10-9-25-8-2-5-18(25)26/h1,3-4,6-7,11H,2,5,8-10H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323243
(1-methyl-6-(4-(2-(2-oxopyrrolidin-1-yl)ethoxy)-3-(...)Show SMILES Cn1ccc2c(nc(cc12)-c1ccc(OCCN2CCCC2=O)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C22H19F3N4O2/c1-28-8-6-15-18(13-26)27-17(12-19(15)28)14-4-5-20(16(11-14)22(23,24)25)31-10-9-29-7-2-3-21(29)30/h4-6,8,11-12H,2-3,7,9-10H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50322921
(6-(4-ethoxy-3-(trifluoromethyl)phenyl)picolinonitr...)Show InChI InChI=1S/C15H11F3N2O/c1-2-21-14-7-6-10(8-12(14)15(16,17)18)13-5-3-4-11(9-19)20-13/h3-8H,2H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323267
(6-(4-(benzyloxy)-3-(trifluoromethyl)phenyl)-1H-imi...)Show SMILES FC(F)(F)c1cc(ccc1OCc1ccccc1)-c1cc2[nH]cnc2c(n1)C#N Show InChI InChI=1S/C21H13F3N4O/c22-21(23,24)15-8-14(6-7-19(15)29-11-13-4-2-1-3-5-13)16-9-17-20(27-12-26-17)18(10-25)28-16/h1-9,12H,11H2,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323264
(6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1-(2-morpho...)Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1cc2n(CCN3CCOCC3)cnc2c(n1)C#N Show InChI InChI=1S/C22H22F3N5O2/c1-2-32-20-4-3-15(11-16(20)22(23,24)25)17-12-19-21(18(13-26)28-17)27-14-30(19)6-5-29-7-9-31-10-8-29/h3-4,11-12,14H,2,5-10H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50323256
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323266
(6-(4-(ethylamino)-3-(trifluoromethyl)phenyl)-1H-im...)Show SMILES CCNc1ccc(cc1C(F)(F)F)-c1cc2[nH]cnc2c(n1)C#N Show InChI InChI=1S/C16H12F3N5/c1-2-21-11-4-3-9(5-10(11)16(17,18)19)12-6-13-15(23-8-22-13)14(7-20)24-12/h3-6,8,21H,2H2,1H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323265
(CHEMBL1208847 | N-(4-(4-cyano-1H-imidazo[4,5-c]pyr...)Show SMILES CC(=O)Nc1ccc(cc1C(F)(F)F)-c1cc2nc[nH]c2c(n1)C#N Show InChI InChI=1S/C16H10F3N5O/c1-8(25)23-11-3-2-9(4-10(11)16(17,18)19)12-5-13-15(22-7-21-13)14(6-20)24-12/h2-5,7H,1H3,(H,21,22)(H,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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