Found 31 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50042424 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
(Homo sapiens (Human)) | BDBM50425893
(CHEMBL2312664)Show SMILES NC(=O)C(=O)N1CCc2c(C1)c(nn2CCCN1CCN(CC1)c1ccccc1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C43H43Cl2N7O2/c44-36-16-12-33(13-17-36)29-47-28-32-9-7-31(8-10-32)11-14-34-27-35(15-18-39(34)45)41-38-30-51(43(54)42(46)53)22-19-40(38)52(48-41)21-4-20-49-23-25-50(26-24-49)37-5-2-1-3-6-37/h1-3,5-10,12-13,15-18,27,47H,4,19-26,28-30H2,(H2,46,53) | 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 |
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)) | BDBM50425891
(CHEMBL2312666)Show SMILES NC(=O)C(=O)N1CCc2c(C1)c(nn2CCCN1CCSCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C37H38Cl2N6O2S/c38-31-11-7-28(8-12-31)24-41-23-27-4-2-26(3-5-27)6-9-29-22-30(10-13-33(29)39)35-32-25-44(37(47)36(40)46)17-14-34(32)45(42-35)16-1-15-43-18-20-48-21-19-43/h2-5,7-8,10-13,22,41H,1,14-21,23-25H2,(H2,40,46) | 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 | 30 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50425882
(CHEMBL2312675)Show SMILES NC(=O)N1CCc2c(C1)c(nn2CCCN1CCSCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)c(c1)C(=O)NCC1CCCNC1 Show InChI InChI=1S/C35H41Cl2N7O2S/c36-30-9-7-27(20-26(30)6-4-24-5-8-31(37)28(19-24)34(45)40-22-25-3-1-11-39-21-25)33-29-23-43(35(38)46)14-10-32(29)44(41-33)13-2-12-42-15-17-47-18-16-42/h5,7-9,19-20,25,39H,1-3,10-18,21-23H2,(H2,38,46)(H,40,45) | 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 | 30 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50425883
(CHEMBL2312674)Show SMILES NC(=O)N1CCc2c(C1)c(nn2CCCN1CCSCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)c(c1)C(=O)NC[C@@H]1CCCN1 |r| Show InChI InChI=1S/C34H39Cl2N7O2S/c35-29-9-7-25(20-24(29)6-4-23-5-8-30(36)27(19-23)33(44)39-21-26-3-1-11-38-26)32-28-22-42(34(37)45)14-10-31(28)43(40-32)13-2-12-41-15-17-46-18-16-41/h5,7-9,19-20,26,38H,1-3,10-18,21-22H2,(H2,37,45)(H,39,44)/t26-/m0/s1 | 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 | 30 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50425881
(CHEMBL2312676)Show SMILES NC(=O)N1CCc2c(C1)c(nn2CCCN1CCSCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)c(c1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C35H41Cl2N7O3S/c36-30-7-5-27(33-29-24-43(35(38)46)12-8-32(29)44(40-33)11-1-10-41-16-20-48-21-17-41)23-26(30)4-2-25-3-6-31(37)28(22-25)34(45)39-9-13-42-14-18-47-19-15-42/h3,5-7,22-23H,1,8-21,24H2,(H2,38,46)(H,39,45) | 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 |
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)) | BDBM50425894
(CHEMBL2313001)Show SMILES NC(=O)N1CCc2c(C1)c(nn2CCCN1CCN(CC1)c1ccccc1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C42H43Cl2N7O/c43-36-16-12-33(13-17-36)29-46-28-32-9-7-31(8-10-32)11-14-34-27-35(15-18-39(34)44)41-38-30-50(42(45)52)22-19-40(38)51(47-41)21-4-20-48-23-25-49(26-24-48)37-5-2-1-3-6-37/h1-3,5-10,12-13,15-18,27,46H,4,19-26,28-30H2,(H2,45,52) | 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 |
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)) | BDBM50425889
(CHEMBL2312668)Show SMILES C[C@@H]1COCCN1CCCn1nc(c2CN(CCc12)C(=O)C(N)=O)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C38H40Cl2N6O3/c1-26-25-49-20-19-44(26)16-2-17-46-35-15-18-45(38(48)37(41)47)24-33(35)36(43-46)31-11-14-34(40)30(21-31)10-7-27-3-5-28(6-4-27)22-42-23-29-8-12-32(39)13-9-29/h3-6,8-9,11-14,21,26,42H,2,15-20,22-25H2,1H3,(H2,41,47)/t26-/m1/s1 | 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 | 50 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50425896
(CHEMBL2312999)Show SMILES NC(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)C(F)(F)F)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C38H39Cl2F3N6O/c39-32-11-7-28(8-12-32)24-45-23-27-4-2-26(3-5-27)6-9-29-22-30(10-13-34(29)40)36-33-25-48(37(44)50)21-16-35(33)49(46-36)18-1-17-47-19-14-31(15-20-47)38(41,42)43/h2-5,7-8,10-13,22,31,45H,1,14-21,23-25H2,(H2,44,50) | 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 | 60 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50425900
(CHEMBL2312995)Show SMILES NC(=O)C(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C37H38Cl2N6O3/c38-31-11-7-28(8-12-31)24-41-23-27-4-2-26(3-5-27)6-9-29-22-30(10-13-33(29)39)35-32-25-44(37(47)36(40)46)17-14-34(32)45(42-35)16-1-15-43-18-20-48-21-19-43/h2-5,7-8,10-13,22,41H,1,14-21,23-25H2,(H2,40,46) | 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 | 60 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50425898
(CHEMBL2312997)Show SMILES NC(=O)N1CCc2c(C1)c(nn2CCCN1CCCCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C37H40Cl2N6O/c38-32-14-10-29(11-15-32)25-41-24-28-7-5-27(6-8-28)9-12-30-23-31(13-16-34(30)39)36-33-26-44(37(40)46)22-17-35(33)45(42-36)21-4-20-43-18-2-1-3-19-43/h5-8,10-11,13-16,23,41H,1-4,17-22,24-26H2,(H2,40,46) | 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 | 60 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50425885
(CHEMBL2312672)Show SMILES NC(=O)N1CCc2c(C1)c(nn2CCCN1CCSCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(COCc2cccnc2)cc1 Show InChI InChI=1S/C35H37ClN6O2S/c36-32-11-10-30(21-29(32)9-8-26-4-6-27(7-5-26)24-44-25-28-3-1-13-38-22-28)34-31-23-41(35(37)43)16-12-33(31)42(39-34)15-2-14-40-17-19-45-20-18-40/h1,3-7,10-11,13,21-22H,2,12,14-20,23-25H2,(H2,37,43) | 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 | 70 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50314218
((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 |r| Show InChI InChI=1S/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-/m0/s1 | 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 | 70 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50425892
(CHEMBL2312665)Show SMILES NC(=O)N1CCc2c(C1)c(nn2CCCN1CCSCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C36H38Cl2N6OS/c37-31-11-7-28(8-12-31)24-40-23-27-4-2-26(3-5-27)6-9-29-22-30(10-13-33(29)38)35-32-25-43(36(39)45)17-14-34(32)44(41-35)16-1-15-42-18-20-46-21-19-42/h2-5,7-8,10-13,22,40H,1,14-21,23-25H2,(H2,39,45) | 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 | 70 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50425886
(CHEMBL2312671)Show SMILES NC(=O)N1CCc2c(C1)c(nn2CCCN1CCSCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(cc1)C(=O)NC[C@@H]1CCCN1 |r| Show InChI InChI=1S/C34H40ClN7O2S/c35-30-11-10-27(21-26(30)9-6-24-4-7-25(8-5-24)33(43)38-22-28-3-1-13-37-28)32-29-23-41(34(36)44)16-12-31(29)42(39-32)15-2-14-40-17-19-45-20-18-40/h4-5,7-8,10-11,21,28,37H,1-3,12-20,22-23H2,(H2,36,44)(H,38,43)/t28-/m0/s1 | 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 | 70 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50425879
(CHEMBL2313003)Show SMILES NC(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C36H38Cl2N6O2/c37-31-11-7-28(8-12-31)24-40-23-27-4-2-26(3-5-27)6-9-29-22-30(10-13-33(29)38)35-32-25-43(36(39)45)17-14-34(32)44(41-35)16-1-15-42-18-20-46-21-19-42/h2-5,7-8,10-13,22,40H,1,14-21,23-25H2,(H2,39,45) | 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 | 90 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50425887
(CHEMBL2312670)Show SMILES NC(=O)N1CCc2c(C1)c(nn2CCCN1CCSCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(cc1)C(=O)NCc1cccnc1 Show InChI InChI=1S/C35H36ClN7O2S/c36-31-11-10-29(21-28(31)9-6-25-4-7-27(8-5-25)34(44)39-23-26-3-1-13-38-22-26)33-30-24-42(35(37)45)16-12-32(30)43(40-33)15-2-14-41-17-19-46-20-18-41/h1,3-5,7-8,10-11,13,21-22H,2,12,14-20,23-24H2,(H2,37,45)(H,39,44) | 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 | 90 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50425895
(CHEMBL2313000)Show SMILES NC(=O)C(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)C(F)(F)F)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C39H39Cl2F3N6O2/c40-32-11-7-28(8-12-32)24-46-23-27-4-2-26(3-5-27)6-9-29-22-30(10-13-34(29)41)36-33-25-49(38(52)37(45)51)21-16-35(33)50(47-36)18-1-17-48-19-14-31(15-20-48)39(42,43)44/h2-5,7-8,10-13,22,31,46H,1,14-21,23-25H2,(H2,45,51) | 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 | 100 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50425897
(CHEMBL2312998)Show SMILES NC(=O)C(=O)N1CCc2c(C1)c(nn2CCCN1CCCCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C38H40Cl2N6O2/c39-32-14-10-29(11-15-32)25-42-24-28-7-5-27(6-8-28)9-12-30-23-31(13-16-34(30)40)36-33-26-45(38(48)37(41)47)22-17-35(33)46(43-36)21-4-20-44-18-2-1-3-19-44/h5-8,10-11,13-16,23,42H,1-4,17-22,24-26H2,(H2,41,47) | 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 | 100 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50425899
(CHEMBL2312996)Show SMILES CN(C)C(=O)C(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C39H42Cl2N6O3/c1-44(2)38(48)39(49)46-19-16-36-34(27-46)37(43-47(36)18-3-17-45-20-22-50-23-21-45)32-12-15-35(41)31(24-32)11-8-28-4-6-29(7-5-28)25-42-26-30-9-13-33(40)14-10-30/h4-7,9-10,12-15,24,42H,3,16-23,25-27H2,1-2H3 | 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 | 110 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50425890
(CHEMBL2312667)Show SMILES C[C@@H]1COCCN1CCCn1nc(c2CN(CCc12)C(N)=O)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C37H40Cl2N6O2/c1-26-25-47-20-19-43(26)16-2-17-45-35-15-18-44(37(40)46)24-33(35)36(42-45)31-11-14-34(39)30(21-31)10-7-27-3-5-28(6-4-27)22-41-23-29-8-12-32(38)13-9-29/h3-6,8-9,11-14,21,26,41H,2,15-20,22-25H2,1H3,(H2,40,46)/t26-/m1/s1 | 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 | 110 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50425888
(CHEMBL2312669)Show SMILES NC(=O)N1CCc2c(C1)c(nn2CCCN1CCSCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(cc1)C(=O)NCc1ccc(Cl)cc1 Show InChI InChI=1S/C36H36Cl2N6O2S/c37-30-11-5-26(6-12-30)23-40-35(45)27-7-2-25(3-8-27)4-9-28-22-29(10-13-32(28)38)34-31-24-43(36(39)46)17-14-33(31)44(41-34)16-1-15-42-18-20-47-21-19-42/h2-3,5-8,10-13,22H,1,14-21,23-24H2,(H2,39,46)(H,40,45) | 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 | 120 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50425884
(CHEMBL2312673)Show SMILES NC(=O)N1CCc2c(C1)c(nn2CCCN1CCSCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(COCC2CNCCO2)cc1 Show InChI InChI=1S/C34H41ClN6O3S/c35-31-9-8-28(20-27(31)7-6-25-2-4-26(5-3-25)23-43-24-29-21-37-11-17-44-29)33-30-22-40(34(36)42)14-10-32(30)41(38-33)13-1-12-39-15-18-45-19-16-39/h2-5,8-9,20,29,37H,1,10-19,21-24H2,(H2,36,42) | 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 | 120 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50425880
(CHEMBL2312663)Show SMILES NC(=O)N1CCc2c(C1)c(nn2CCCN1CCSCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)c(c1)C(=O)N1CCNCC1 Show InChI InChI=1S/C33H37Cl2N7O2S/c34-28-7-5-25(21-24(28)4-2-23-3-6-29(35)26(20-23)32(43)40-14-9-37-10-15-40)31-27-22-41(33(36)44)13-8-30(27)42(38-31)12-1-11-39-16-18-45-19-17-39/h3,5-7,20-21,37H,1,8-19,22H2,(H2,36,44) | 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 | 130 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50299197
(CHEMBL573636 | N-(4-((2-chloro-5-(5-(methylsulfony...)Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C36H39Cl2N5O3S/c1-47(44,45)42-18-15-35-33(26-42)36(40-43(35)17-2-16-41-19-21-46-22-20-41)31-11-14-34(38)30(23-31)10-7-27-3-5-28(6-4-27)24-39-25-29-8-12-32(37)13-9-29/h3-6,8-9,11-14,23,39H,2,15-22,24-26H2,1H3 | 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 | 140 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50425901
(CHEMBL2312994)Show SMILES CC(=O)NCC(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C39H42Cl2N6O3/c1-28(48)43-26-38(49)46-18-15-37-35(27-46)39(44-47(37)17-2-16-45-19-21-50-22-20-45)33-11-14-36(41)32(23-33)10-7-29-3-5-30(6-4-29)24-42-25-31-8-12-34(40)13-9-31/h3-6,8-9,11-14,23,42H,2,15-22,24-27H2,1H3,(H,43,48) | 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 | 160 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50425904
(CHEMBL2312679)Show SMILES CN(C)S(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C37H42Cl2N6O3S/c1-42(2)49(46,47)44-19-16-36-34(27-44)37(41-45(36)18-3-17-43-20-22-48-23-21-43)32-12-15-35(39)31(24-32)11-8-28-4-6-29(7-5-28)25-40-26-30-9-13-33(38)14-10-30/h4-7,9-10,12-15,24,40H,3,16-23,25-27H2,1-2H3 | 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 | 180 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50425902
(CHEMBL2312993)Show SMILES NCC(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C37H40Cl2N6O2/c38-32-11-7-29(8-12-32)25-41-24-28-4-2-27(3-5-28)6-9-30-22-31(10-13-34(30)39)37-33-26-44(36(46)23-40)17-14-35(33)45(42-37)16-1-15-43-18-20-47-21-19-43/h2-5,7-8,10-13,22,41H,1,14-21,23-26,40H2 | 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 |
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)) | BDBM50425906
(CHEMBL2312677)Show SMILES CNC(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C37H40Cl2N6O2/c1-40-37(46)44-18-15-35-33(26-44)36(42-45(35)17-2-16-43-19-21-47-22-20-43)31-11-14-34(39)30(23-31)10-7-27-3-5-28(6-4-27)24-41-25-29-8-12-32(38)13-9-29/h3-6,8-9,11-14,23,41H,2,15-22,24-26H2,1H3,(H,40,46) | 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 | 790 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50425903
(CHEMBL2312992)Show SMILES Clc1ccc(CNCc2ccc(cc2)C#Cc2cc(ccc2Cl)-c2nn(CCCN3CCOCC3)c3CCN(Cc23)C(=O)N2CCOCC2)cc1 Show InChI InChI=1S/C40H44Cl2N6O3/c41-35-11-7-32(8-12-35)28-43-27-31-4-2-30(3-5-31)6-9-33-26-34(10-13-37(33)42)39-36-29-47(40(49)46-20-24-51-25-21-46)17-14-38(36)48(44-39)16-1-15-45-18-22-50-23-19-45/h2-5,7-8,10-13,26,43H,1,14-25,27-29H2 | 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 | 1.63E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50425907
(CHEMBL2313002)Show SMILES Clc1ccc(CNCc2ccc(cc2)C#Cc2cc(ccc2Cl)-c2nn(CCCN3CCOCC3)c3CCNCc23)cc1 Show InChI InChI=1S/C35H37Cl2N5O/c36-31-11-7-28(8-12-31)24-39-23-27-4-2-26(3-5-27)6-9-29-22-30(10-13-33(29)37)35-32-25-38-15-14-34(32)42(40-35)17-1-16-41-18-20-43-21-19-41/h2-5,7-8,10-13,22,38-39H,1,14-21,23-25H2 | 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 | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50425905
(CHEMBL2312678)Show SMILES CN(C)C(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C38H42Cl2N6O2/c1-43(2)38(47)45-19-16-36-34(27-45)37(42-46(36)18-3-17-44-20-22-48-23-21-44)32-12-15-35(40)31(24-32)11-8-28-4-6-29(7-5-28)25-41-26-30-9-13-33(39)14-10-30/h4-7,9-10,12-15,24,41H,3,16-23,25-27H2,1-2H3 | 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 | 4.56E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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