BindingDB logo
myBDB logout

20 similar compounds to monomer 50314217

Compile data set for download or QSAR
Wt: 569.7
BDBM50314203
Wt: 583.7
BDBM50314204
Wt: 612.7
BDBM50314207
Wt: 666.8
BDBM50314208
Wt: 679.8
BDBM50314209
Wt: 664.7
BDBM50314210
Wt: 611.7
BDBM50314211
Wt: 625.7
BDBM50314212
Wt: 627.7
BDBM50314213
Wt: 641.7
BDBM50314214
Wt: 641.7
BDBM50314215
Wt: 657.8
BDBM50314216
Wt: 640.7
BDBM50314218
Wt: 702.7
BDBM50314242
Wt: 628.7
BDBM50314244
Displayed 1 to 15 (of 20 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50314203,50314204,50314207,50314208,50314209,50314210,50314211,50314212,50314213,50314214,50314215,50314216,50314218,50314242,50314244   
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))
BDBM50314203
PNG
(1-(3-(3-(2-(4-fluoropiperidin-1-yl)ethylthio)-4-(t...)
Show SMILES OC(CN1CCCCC1)Cn1nc(c2CNCCc12)-c1ccc(c(SCCN2CCC(F)CC2)c1)C(F)(F)F
Show InChI InChI=1/C28H39F4N5OS/c29-21-7-12-35(13-8-21)14-15-39-26-16-20(4-5-24(26)28(30,31)32)27-23-17-33-9-6-25(23)37(34-27)19-22(38)18-36-10-2-1-3-11-36/h4-5,16,21-22,33,38H,1-3,6-15,17-19H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.60E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by ADAM-28 substrate-based fluorescence assay


Bioorg Med Chem Lett 20: 2375-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.104
BindingDB Entry DOI: 10.7270/Q2B85888
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314218
PNG
((S)-2-(3-(3-(2-(4-fluoropiperidin-1-yl)ethylthio)-...)
Show SMILES NC(=O)C(=O)N1CCc2c(C1)c(nn2C[C@@H](O)CN1CCCCC1)-c1ccc(c(SCCN2CCC(F)CC2)c1)C(F)(F)F
Show InChI InChI=1/C30H40F4N6O3S/c31-21-6-11-37(12-7-21)14-15-44-26-16-20(4-5-24(26)30(32,33)34)27-23-19-39(29(43)28(35)42)13-8-25(23)40(36-27)18-22(41)17-38-9-2-1-3-10-38/h4-5,16,21-22,41H,1-3,6-15,17-19H2,(H2,35,42)/t22-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S


Bioorg Med Chem Lett 23: 1070-4 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.014
BindingDB Entry DOI: 10.7270/Q2T43VD9
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314207
PNG
((S)-3-(3-(2-(4-fluoropiperidin-1-yl)ethylthio)-4-(...)
Show SMILES NC(=O)N1CCc2c(C1)c(nn2C[C@@H](O)CN1CCCCC1)-c1ccc(c(SCCN2CCC(F)CC2)c1)C(F)(F)F
Show InChI InChI=1/C29H40F4N6O2S/c30-21-6-11-36(12-7-21)14-15-42-26-16-20(4-5-24(26)29(31,32)33)27-23-19-38(28(34)41)13-8-25(23)39(35-27)18-22(40)17-37-9-2-1-3-10-37/h4-5,16,21-22,40H,1-3,6-15,17-19H2,(H2,34,41)/t22-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 235n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by ADAM-28 substrate-based fluorescence assay


Bioorg Med Chem Lett 20: 2375-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.104
BindingDB Entry DOI: 10.7270/Q2B85888
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314208
PNG
((S)-(3-(3-(2-(4-fluoropiperidin-1-yl)ethylthio)-4-...)
Show SMILES O[C@@H](CN1CCCCC1)Cn1nc(c2CN(CCc12)C(=O)N1CCCC1)-c1ccc(c(SCCN2CCC(F)CC2)c1)C(F)(F)F
Show InChI InChI=1/C33H46F4N6O2S/c34-25-8-15-39(16-9-25)18-19-46-30-20-24(6-7-28(30)33(35,36)37)31-27-23-42(32(45)41-13-4-5-14-41)17-10-29(27)43(38-31)22-26(44)21-40-11-2-1-3-12-40/h6-7,20,25-26,44H,1-5,8-19,21-23H2/t26-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.19E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by ADAM-28 substrate-based fluorescence assay


Bioorg Med Chem Lett 20: 2375-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.104
BindingDB Entry DOI: 10.7270/Q2B85888
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314209
PNG
((S)-(3-(3-(2-(4-fluoropiperidin-1-yl)ethylthio)-4-...)
Show SMILES O[C@@H](CN1CCCCC1)Cn1nc(c2CN(CCc12)C(=O)c1cccs1)-c1ccc(c(SCCN2CCC(F)CC2)c1)C(F)(F)F
Show InChI InChI=1/C33H41F4N5O2S2/c34-24-8-13-39(14-9-24)16-18-46-30-19-23(6-7-27(30)33(35,36)37)31-26-22-41(32(44)29-5-4-17-45-29)15-10-28(26)42(38-31)21-25(43)20-40-11-2-1-3-12-40/h4-7,17,19,24-25,43H,1-3,8-16,18,20-22H2/t25-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 355n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by ADAM-28 substrate-based fluorescence assay


Bioorg Med Chem Lett 20: 2375-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.104
BindingDB Entry DOI: 10.7270/Q2B85888
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314210
PNG
((S)-(3-(3-(2-(4-fluoropiperidin-1-yl)ethylthio)-4-...)
Show SMILES O[C@@H](CN1CCCCC1)Cn1nc(c2CN(CCc12)C(=O)c1nnc[nH]1)-c1ccc(c(SCCN2CCC(F)CC2)c1)C(F)(F)F
Show InChI InChI=1/C31H40F4N8O2S/c32-22-6-11-40(12-7-22)14-15-46-27-16-21(4-5-25(27)31(33,34)35)28-24-19-42(30(45)29-36-20-37-38-29)13-8-26(24)43(39-28)18-23(44)17-41-9-2-1-3-10-41/h4-5,16,20,22-23,44H,1-3,6-15,17-19H2,(H,36,37,38)/t23-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 205n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by ADAM-28 substrate-based fluorescence assay


Bioorg Med Chem Lett 20: 2375-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.104
BindingDB Entry DOI: 10.7270/Q2B85888
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314211
PNG
((S)-1-(3-(3-(2-(4-fluoropiperidin-1-yl)ethylthio)-...)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C[C@@H](O)CN1CCCCC1)-c1ccc(c(SCCN2CCC(F)CC2)c1)C(F)(F)F
Show InChI InChI=1/C30H41F4N5O2S/c1-21(40)38-14-9-27-25(20-38)29(35-39(27)19-24(41)18-37-10-3-2-4-11-37)22-5-6-26(30(32,33)34)28(17-22)42-16-15-36-12-7-23(31)8-13-36/h5-6,17,23-24,41H,2-4,7-16,18-20H2,1H3/t24-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 385n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by ADAM-28 substrate-based fluorescence assay


Bioorg Med Chem Lett 20: 2375-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.104
BindingDB Entry DOI: 10.7270/Q2B85888
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314212
PNG
((S)-1-(3-(3-(2-(4-fluoropiperidin-1-yl)ethylthio)-...)
Show SMILES CCC(=O)N1CCc2c(C1)c(nn2C[C@@H](O)CN1CCCCC1)-c1ccc(c(SCCN2CCC(F)CC2)c1)C(F)(F)F
Show InChI InChI=1/C31H43F4N5O2S/c1-2-29(42)39-15-10-27-25(21-39)30(36-40(27)20-24(41)19-38-11-4-3-5-12-38)22-6-7-26(31(33,34)35)28(18-22)43-17-16-37-13-8-23(32)9-14-37/h6-7,18,23-24,41H,2-5,8-17,19-21H2,1H3/t24-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 690n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by ADAM-28 substrate-based fluorescence assay


Bioorg Med Chem Lett 20: 2375-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.104
BindingDB Entry DOI: 10.7270/Q2B85888
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314213
PNG
((S)-1-(3-(3-(2-(4-fluoropiperidin-1-yl)ethylthio)-...)
Show SMILES OCC(=O)N1CCc2c(C1)c(nn2C[C@@H](O)CN1CCCCC1)-c1ccc(c(SCCN2CCC(F)CC2)c1)C(F)(F)F
Show InChI InChI=1/C30H41F4N5O3S/c31-22-6-11-36(12-7-22)14-15-43-27-16-21(4-5-25(27)30(32,33)34)29-24-19-38(28(42)20-40)13-8-26(24)39(35-29)18-23(41)17-37-9-2-1-3-10-37/h4-5,16,22-23,40-41H,1-3,6-15,17-20H2/t23-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PDB
Article
PubMed
n/an/a 235n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by ADAM-28 substrate-based fluorescence assay


Bioorg Med Chem Lett 20: 2375-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.104
BindingDB Entry DOI: 10.7270/Q2B85888
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin S


(Homo sapiens (Human))
BDBM50314214
PNG
(1-(3-(3-(2-(4-fluoropiperidin-1-yl)ethylthio)-4-(t...)
Show SMILES CC(O)C(=O)N1CCc2c(C1)c(nn2C[C@@H](O)CN1CCCCC1)-c1ccc(c(SCCN2CCC(F)CC2)c1)C(F)(F)F
Show InChI InChI=1/C31H43F4N5O3S/c1-21(41)30(43)39-14-9-27-25(20-39)29(36-40(27)19-24(42)18-38-10-3-2-4-11-38)22-5-6-26(31(33,34)35)28(17-22)44-16-15-37-12-7-23(32)8-13-37/h5-6,17,21,23-24,41-42H,2-4,7-16,18-20H2,1H3/t21?,24-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 245n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by ADAM-28 substrate-based fluorescence assay


Bioorg Med Chem Lett 20: 2375-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.104
BindingDB Entry DOI: 10.7270/Q2B85888
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314215
PNG
((S)-1-(3-(3-(2-(4-fluoropiperidin-1-yl)ethylthio)-...)
Show SMILES COCC(=O)N1CCc2c(C1)c(nn2C[C@@H](O)CN1CCCCC1)-c1ccc(c(SCCN2CCC(F)CC2)c1)C(F)(F)F
Show InChI InChI=1/C31H43F4N5O3S/c1-43-21-29(42)39-14-9-27-25(20-39)30(36-40(27)19-24(41)18-38-10-3-2-4-11-38)22-5-6-26(31(33,34)35)28(17-22)44-16-15-37-12-7-23(32)8-13-37/h5-6,17,23-24,41H,2-4,7-16,18-21H2,1H3/t24-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 470n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by ADAM-28 substrate-based fluorescence assay


Bioorg Med Chem Lett 20: 2375-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.104
BindingDB Entry DOI: 10.7270/Q2B85888
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314216
PNG
((S)-1-(3-(3-(2-(4-fluoropiperidin-1-yl)ethylthio)-...)
Show SMILES CSCC(=O)N1CCc2c(C1)c(nn2C[C@@H](O)CN1CCCCC1)-c1ccc(c(SCCN2CCC(F)CC2)c1)C(F)(F)F
Show InChI InChI=1/C31H43F4N5O2S2/c1-43-21-29(42)39-14-9-27-25(20-39)30(36-40(27)19-24(41)18-38-10-3-2-4-11-38)22-5-6-26(31(33,34)35)28(17-22)44-16-15-37-12-7-23(32)8-13-37/h5-6,17,23-24,41H,2-4,7-16,18-21H2,1H3/t24-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 310n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by ADAM-28 substrate-based fluorescence assay


Bioorg Med Chem Lett 20: 2375-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.104
BindingDB Entry DOI: 10.7270/Q2B85888
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314218
PNG
((S)-2-(3-(3-(2-(4-fluoropiperidin-1-yl)ethylthio)-...)
Show SMILES NC(=O)C(=O)N1CCc2c(C1)c(nn2C[C@@H](O)CN1CCCCC1)-c1ccc(c(SCCN2CCC(F)CC2)c1)C(F)(F)F
Show InChI InChI=1/C30H40F4N6O3S/c31-21-6-11-37(12-7-21)14-15-44-26-16-20(4-5-24(26)30(32,33)34)27-23-19-39(29(43)28(35)42)13-8-25(23)40(36-27)18-22(41)17-38-9-2-1-3-10-38/h4-5,16,21-22,41H,1-3,6-15,17-19H2,(H2,35,42)/t22-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by ADAM-28 substrate-based fluorescence assay


Bioorg Med Chem Lett 20: 2375-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.104
BindingDB Entry DOI: 10.7270/Q2B85888
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314210
PNG
((S)-(3-(3-(2-(4-fluoropiperidin-1-yl)ethylthio)-4-...)
Show SMILES O[C@@H](CN1CCCCC1)Cn1nc(c2CN(CCc12)C(=O)c1nnc[nH]1)-c1ccc(c(SCCN2CCC(F)CC2)c1)C(F)(F)F
Show InChI InChI=1/C31H40F4N8O2S/c32-22-6-11-40(12-7-22)14-15-46-27-16-21(4-5-25(27)31(33,34)35)28-24-19-42(30(45)29-36-20-37-38-29)13-8-26(24)43(39-28)18-23(44)17-41-9-2-1-3-10-41/h4-5,16,20,22-23,44H,1-3,6-15,17-19H2,(H,36,37,38)/t23-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 320n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as accumulation of invariant chain p10 fragment after 24 hrs by western blot analysis


Bioorg Med Chem Lett 20: 2375-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.104
BindingDB Entry DOI: 10.7270/Q2B85888
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314218
PNG
((S)-2-(3-(3-(2-(4-fluoropiperidin-1-yl)ethylthio)-...)
Show SMILES NC(=O)C(=O)N1CCc2c(C1)c(nn2C[C@@H](O)CN1CCCCC1)-c1ccc(c(SCCN2CCC(F)CC2)c1)C(F)(F)F
Show InChI InChI=1/C30H40F4N6O3S/c31-21-6-11-37(12-7-21)14-15-44-26-16-20(4-5-24(26)30(32,33)34)27-23-19-39(29(43)28(35)42)13-8-25(23)40(36-27)18-22(41)17-38-9-2-1-3-10-38/h4-5,16,21-22,41H,1-3,6-15,17-19H2,(H2,35,42)/t22-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as accumulation of invariant chain p10 fragment after 24 hrs by western blot analysis


Bioorg Med Chem Lett 20: 2375-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.104
BindingDB Entry DOI: 10.7270/Q2B85888
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314242
PNG
(CHEMBL1090988 | rac-2-hydroxy-1-(1-(2-hydroxy-3-(4...)
Show SMILES OCC(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)c1ccccn1)-c1ccc(c(SCC(=O)N2CCOCC2)c1)C(F)(F)F
Show InChI InChI=1/C34H41F3N6O5S/c35-34(36,37)27-5-4-24(17-30(27)49-22-32(47)41-13-15-48-16-14-41)33-26-20-42(31(46)21-44)12-8-29(26)43(39-33)19-25(45)18-40-10-6-23(7-11-40)28-3-1-2-9-38-28/h1-5,9,17,23,25,44-45H,6-8,10-16,18-22H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus expression sytem after 15 mins by FRET assay


Bioorg Med Chem Lett 20: 2379-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.103
BindingDB Entry DOI: 10.7270/Q22V2G7J
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314244
PNG
(CHEMBL1090986 | rac-2-(5-(1-(2-hydroxy-3-(4-(pyrid...)
Show SMILES OC(CN1CCC(CC1)c1ccccn1)Cn1nc(c2CNCCc12)-c1ccc(c(SCC(=O)N2CCCC2)c1)C(F)(F)F
Show InChI InChI=1/C32H39F3N6O2S/c33-32(34,35)26-7-6-23(17-29(26)44-21-30(43)40-13-3-4-14-40)31-25-18-36-12-8-28(25)41(38-31)20-24(42)19-39-15-9-22(10-16-39)27-5-1-2-11-37-27/h1-2,5-7,11,17,22,24,36,42H,3-4,8-10,12-16,18-21H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S expressed in baculovirus expression sytem after 15 mins by FRET assay


Bioorg Med Chem Lett 20: 2379-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.103
BindingDB Entry DOI: 10.7270/Q22V2G7J
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314242
PNG
(CHEMBL1090988 | rac-2-hydroxy-1-(1-(2-hydroxy-3-(4...)
Show SMILES OCC(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)c1ccccn1)-c1ccc(c(SCC(=O)N2CCOCC2)c1)C(F)(F)F
Show InChI InChI=1/C34H41F3N6O5S/c35-34(36,37)27-5-4-24(17-30(27)49-22-32(47)41-13-15-48-16-14-41)33-26-20-42(31(46)21-44)12-8-29(26)43(39-33)19-25(45)18-40-10-6-23(7-11-40)28-3-1-2-9-38-28/h1-5,9,17,23,25,44-45H,6-8,10-16,18-22H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as accumulation of invariant chain p10li after 24 hrs by Western blot analysis


Bioorg Med Chem Lett 20: 2379-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.103
BindingDB Entry DOI: 10.7270/Q22V2G7J
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314244
PNG
(CHEMBL1090986 | rac-2-(5-(1-(2-hydroxy-3-(4-(pyrid...)
Show SMILES OC(CN1CCC(CC1)c1ccccn1)Cn1nc(c2CNCCc12)-c1ccc(c(SCC(=O)N2CCCC2)c1)C(F)(F)F
Show InChI InChI=1/C32H39F3N6O2S/c33-32(34,35)26-7-6-23(17-29(26)44-21-30(43)40-13-3-4-14-40)31-25-18-36-12-8-28(25)41(38-31)20-24(42)19-39-15-9-22(10-16-39)27-5-1-2-11-37-27/h1-2,5-7,11,17,22,24,36,42H,3-4,8-10,12-16,18-21H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as accumulation of invariant chain p10li after 24 hrs by Western blot analysis


Bioorg Med Chem Lett 20: 2379-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.103
BindingDB Entry DOI: 10.7270/Q22V2G7J
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314218
PNG
((S)-2-(3-(3-(2-(4-fluoropiperidin-1-yl)ethylthio)-...)
Show SMILES NC(=O)C(=O)N1CCc2c(C1)c(nn2C[C@@H](O)CN1CCCCC1)-c1ccc(c(SCCN2CCC(F)CC2)c1)C(F)(F)F
Show InChI InChI=1/C30H40F4N6O3S/c31-21-6-11-37(12-7-21)14-15-44-26-16-20(4-5-24(26)30(32,33)34)27-23-19-39(29(43)28(35)42)13-8-25(23)40(36-27)18-22(41)17-38-9-2-1-3-10-38/h4-5,16,21-22,41H,1-3,6-15,17-19H2,(H2,35,42)/t22-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S in human JY cells assessed as invariant chain-li degradation


Bioorg Med Chem Lett 23: 1070-4 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.014
BindingDB Entry DOI: 10.7270/Q2T43VD9
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50314204
PNG
(1-(3-(3-(2-(4-fluoropiperidin-1-yl)ethylthio)-4-(t...)
Show SMILES CN1CCc2c(C1)c(nn2CC(O)CN1CCCCC1)-c1ccc(c(SCCN2CCC(F)CC2)c1)C(F)(F)F
Show InChI InChI=1/C29H41F4N5OS/c1-35-12-9-26-24(20-35)28(34-38(26)19-23(39)18-37-10-3-2-4-11-37)21-5-6-25(29(31,32)33)27(17-21)40-16-15-36-13-7-22(30)8-14-36/h5-6,17,22-23,39H,2-4,7-16,18-20H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by ADAM-28 substrate-based fluorescence assay


Bioorg Med Chem Lett 20: 2375-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.104
BindingDB Entry DOI: 10.7270/Q2B85888
More data for this
Ligand-Target Pair