Found 12 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
(Homo sapiens (Human)) | BDBM50321626
(CHEMBL1171504 | N-(2-chloro-5-(1-(3-(4-(6-chloro-3...)Show SMILES Cn1c2ccc(Cl)cc2n(C2CCN(CCCn3cncc(-c4ccc(Cl)c(CNC(=O)c5ccc(F)cc5)c4)c3=O)CC2)c1=O Show InChI InChI=1S/C34H33Cl2FN6O3/c1-40-30-10-6-25(35)18-31(30)43(34(40)46)27-11-15-41(16-12-27)13-2-14-42-21-38-20-28(33(42)45)23-5-9-29(36)24(17-23)19-39-32(44)22-3-7-26(37)8-4-22/h3-10,17-18,20-21,27H,2,11-16,19H2,1H3,(H,39,44) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin S |
Bioorg Med Chem Lett 20: 4060-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.086
BindingDB Entry DOI: 10.7270/Q20Z747Q |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cathepsin S
(Homo sapiens (Human)) | BDBM50321625
(CHEMBL1171503 | CatS_4 | N-(2-chloro-5-(2-(3-(4-(6...)Show SMILES Cn1c2ccc(Cl)cc2n(C2CCN(CCCn3nccc(-c4ccc(Cl)c(CNC(=O)c5ccc(F)cc5)c4)c3=O)CC2)c1=O Show InChI InChI=1S/C34H33Cl2FN6O3/c1-40-30-10-6-25(35)20-31(30)43(34(40)46)27-12-17-41(18-13-27)15-2-16-42-33(45)28(11-14-39-42)23-5-9-29(36)24(19-23)21-38-32(44)22-3-7-26(37)8-4-22/h3-11,14,19-20,27H,2,12-13,15-18,21H2,1H3,(H,38,44) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin S |
Bioorg Med Chem Lett 20: 4060-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.086
BindingDB Entry DOI: 10.7270/Q20Z747Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cathepsin S
(Homo sapiens (Human)) | BDBM50321627
(CHEMBL1171505 | CatS_6 | N-(2-chloro-5-(4-(3-(4-(6...)Show SMILES Cn1c2ccc(Cl)cc2n(C2CCN(CCCn3ccnc(-c4ccc(Cl)c(CNC(=O)c5ccc(F)cc5)c4)c3=O)CC2)c1=O Show InChI InChI=1S/C34H33Cl2FN6O3/c1-40-29-10-6-25(35)20-30(29)43(34(40)46)27-11-16-41(17-12-27)14-2-15-42-18-13-38-31(33(42)45)23-5-9-28(36)24(19-23)21-39-32(44)22-3-7-26(37)8-4-22/h3-10,13,18-20,27H,2,11-12,14-17,21H2,1H3,(H,39,44) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin S |
Bioorg Med Chem Lett 20: 4060-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.086
BindingDB Entry DOI: 10.7270/Q20Z747Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cathepsin S
(Homo sapiens (Human)) | BDBM50321624
(CHEMBL1171502 | N-(2-chloro-5-(1-(3-(4-(6-chloro-3...)Show SMILES Cn1c2ccc(Cl)cc2n(C2CCN(CCCn3nc(ccc3=O)-c3ccc(Cl)c(CNC(=O)c4ccc(F)cc4)c3)CC2)c1=O Show InChI InChI=1S/C34H33Cl2FN6O3/c1-40-30-11-6-25(35)20-31(30)43(34(40)46)27-13-17-41(18-14-27)15-2-16-42-32(44)12-10-29(39-42)23-5-9-28(36)24(19-23)21-38-33(45)22-3-7-26(37)8-4-22/h3-12,19-20,27H,2,13-18,21H2,1H3,(H,38,45) | 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 | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin S |
Bioorg Med Chem Lett 20: 4060-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.086
BindingDB Entry DOI: 10.7270/Q20Z747Q |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50321623
(CHEMBL1171314 | N-(2-chloro-5-(1-(3-(4-(6-chloro-3...)Show SMILES Cn1c2ccc(Cl)cc2n(C2CCN(CCCn3nc(ccc3=O)-c3ccc(Cl)c(CNC(=O)c4ccccc4)c3)CC2)c1=O Show InChI InChI=1S/C34H34Cl2N6O3/c1-39-30-12-9-26(35)21-31(30)42(34(39)45)27-14-18-40(19-15-27)16-5-17-41-32(43)13-11-29(38-41)24-8-10-28(36)25(20-24)22-37-33(44)23-6-3-2-4-7-23/h2-4,6-13,20-21,27H,5,14-19,22H2,1H3,(H,37,44) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin S |
Bioorg Med Chem Lett 20: 4060-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.086
BindingDB Entry DOI: 10.7270/Q20Z747Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cathepsin S
(Homo sapiens (Human)) | BDBM50321622
(CHEMBL1170609 | N-(2-chloro-5-(6-oxo-1-(3-(4-(2-ox...)Show SMILES Fc1ccc(cc1)C(=O)NCc1cc(ccc1Cl)-c1ccc(=O)n(CCCN2CCC(CC2)N2CCCC2=O)n1 Show InChI InChI=1S/C30H33ClFN5O3/c31-26-9-6-22(19-23(26)20-33-30(40)21-4-7-24(32)8-5-21)27-10-11-29(39)37(34-27)16-2-14-35-17-12-25(13-18-35)36-15-1-3-28(36)38/h4-11,19,25H,1-3,12-18,20H2,(H,33,40) | 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 | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin S |
Bioorg Med Chem Lett 20: 4060-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.086
BindingDB Entry DOI: 10.7270/Q20Z747Q |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50321620
(CHEMBL1171313 | N-(2-chloro-5-(6-oxo-1-(3-(4-(3-(t...)Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCn2nc(ccc2=O)-c2ccc(Cl)c(CNC(=O)c3ccccc3)c2)CC1 Show InChI InChI=1S/C32H31ClF3N5O2/c33-28-11-10-24(20-25(28)22-37-31(43)23-6-2-1-3-7-23)29-12-13-30(42)41(38-29)15-5-14-39-16-18-40(19-17-39)27-9-4-8-26(21-27)32(34,35)36/h1-4,6-13,20-21H,5,14-19,22H2,(H,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 | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin S |
Bioorg Med Chem Lett 20: 4060-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.086
BindingDB Entry DOI: 10.7270/Q20Z747Q |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50321625
(CHEMBL1171503 | CatS_4 | N-(2-chloro-5-(2-(3-(4-(6...)Show SMILES Cn1c2ccc(Cl)cc2n(C2CCN(CCCn3nccc(-c4ccc(Cl)c(CNC(=O)c5ccc(F)cc5)c4)c3=O)CC2)c1=O Show InChI InChI=1S/C34H33Cl2FN6O3/c1-40-30-10-6-25(35)20-31(30)43(34(40)46)27-12-17-41(18-13-27)15-2-16-42-33(45)28(11-14-39-42)23-5-9-29(36)24(19-23)21-38-32(44)22-3-7-26(37)8-4-22/h3-11,14,19-20,27H,2,12-13,15-18,21H2,1H3,(H,38,44) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S-mediated invariant chain degradation in human JY B-cells assessed as accumulation of p10 fragment by Western blot analysis |
Bioorg Med Chem Lett 20: 4060-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.086
BindingDB Entry DOI: 10.7270/Q20Z747Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cathepsin S
(Homo sapiens (Human)) | BDBM50321621
(CHEMBL1171608 | N-(2-chloro-5-(6-oxo-1-(3-(4-(2-ox...)Show SMILES Clc1ccc(cc1CNC(=O)c1ccccc1)-c1ccc(=O)n(CCCN2CCC(CC2)N2CCCC2=O)n1 Show InChI InChI=1S/C30H34ClN5O3/c31-26-10-9-23(20-24(26)21-32-30(39)22-6-2-1-3-7-22)27-11-12-29(38)36(33-27)17-5-15-34-18-13-25(14-19-34)35-16-4-8-28(35)37/h1-3,6-7,9-12,20,25H,4-5,8,13-19,21H2,(H,32,39) | 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 | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin S |
Bioorg Med Chem Lett 20: 4060-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.086
BindingDB Entry DOI: 10.7270/Q20Z747Q |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50321626
(CHEMBL1171504 | N-(2-chloro-5-(1-(3-(4-(6-chloro-3...)Show SMILES Cn1c2ccc(Cl)cc2n(C2CCN(CCCn3cncc(-c4ccc(Cl)c(CNC(=O)c5ccc(F)cc5)c4)c3=O)CC2)c1=O Show InChI InChI=1S/C34H33Cl2FN6O3/c1-40-30-10-6-25(35)18-31(30)43(34(40)46)27-11-15-41(16-12-27)13-2-14-42-21-38-20-28(33(42)45)23-5-9-29(36)24(17-23)19-39-32(44)22-3-7-26(37)8-4-22/h3-10,17-18,20-21,27H,2,11-16,19H2,1H3,(H,39,44) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S-mediated invariant chain degradation in human JY B-cells assessed as accumulation of p10 fragment by Western blot analysis |
Bioorg Med Chem Lett 20: 4060-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.086
BindingDB Entry DOI: 10.7270/Q20Z747Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cathepsin S
(Homo sapiens (Human)) | BDBM50321627
(CHEMBL1171505 | CatS_6 | N-(2-chloro-5-(4-(3-(4-(6...)Show SMILES Cn1c2ccc(Cl)cc2n(C2CCN(CCCn3ccnc(-c4ccc(Cl)c(CNC(=O)c5ccc(F)cc5)c4)c3=O)CC2)c1=O Show InChI InChI=1S/C34H33Cl2FN6O3/c1-40-29-10-6-25(35)20-30(29)43(34(40)46)27-11-16-41(17-12-27)14-2-15-42-18-13-38-31(33(42)45)23-5-9-28(36)24(19-23)21-39-32(44)22-3-7-26(37)8-4-22/h3-10,13,18-20,27H,2,11-12,14-17,21H2,1H3,(H,39,44) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin S-mediated invariant chain degradation in human JY B-cells assessed as accumulation of p10 fragment by Western blot analysis |
Bioorg Med Chem Lett 20: 4060-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.086
BindingDB Entry DOI: 10.7270/Q20Z747Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cathepsin S
(Homo sapiens (Human)) | BDBM50321619
(CHEMBL1171421 | N-(2-chloro-5-(6-oxo-1-(3-(pyrroli...)Show SMILES Clc1ccc(cc1CNC(=O)c1ccccc1)-c1ccc(=O)n(CCCN2CCCC2)n1 Show InChI InChI=1S/C25H27ClN4O2/c26-22-10-9-20(17-21(22)18-27-25(32)19-7-2-1-3-8-19)23-11-12-24(31)30(28-23)16-6-15-29-13-4-5-14-29/h1-3,7-12,17H,4-6,13-16,18H2,(H,27,32) | 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 | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin S |
Bioorg Med Chem Lett 20: 4060-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.086
BindingDB Entry DOI: 10.7270/Q20Z747Q |
More data for this
Ligand-Target Pair | |
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