Found 53 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 K
(Homo sapiens (Human)) | BDBM50313480
(4-(cyclohexylamino)-6-(piperazin-1-yl)-1,3,5-triaz...)Show InChI InChI=1S/C14H21N7/c15-10-12-18-13(17-11-4-2-1-3-5-11)20-14(19-12)21-8-6-16-7-9-21/h11,16H,1-9H2,(H,17,18,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cathepsin K
(Homo sapiens (Human)) | BDBM50313476
(4-(3-(piperidin-1-yl)propyl)-6-(3-(trifluoromethyl...)Show SMILES FC(F)(F)c1cccc(c1)-c1cc(CCCN2CCCCC2)nc(n1)C#N Show InChI InChI=1S/C20H21F3N4/c21-20(22,23)16-7-4-6-15(12-16)18-13-17(25-19(14-24)26-18)8-5-11-27-9-2-1-3-10-27/h4,6-7,12-13H,1-3,5,8-11H2 | 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cathepsin K
(Homo sapiens (Human)) | BDBM50313477
(4-(3-(pentan-3-ylamino)propyl)-6-(3-(trifluorometh...)Show SMILES CCC(CC)NCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C20H23F3N4/c1-3-16(4-2)25-10-6-9-17-12-18(27-19(13-24)26-17)14-7-5-8-15(11-14)20(21,22)23/h5,7-8,11-12,16,25H,3-4,6,9-10H2,1-2H3 | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Cathepsin K
(Homo sapiens (Human)) | BDBM50313478
(4-(3-(tert-butylamino)propyl)-6-(3-(trifluoromethy...)Show SMILES CC(C)(C)NCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C19H21F3N4/c1-18(2,3)24-9-5-8-15-11-16(26-17(12-23)25-15)13-6-4-7-14(10-13)19(20,21)22/h4,6-7,10-11,24H,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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Cathepsin K
(Homo sapiens (Human)) | BDBM50313467
(4-(3-tert-butylphenyl)-6-propylpyrimidine-2-carbon...)Show InChI InChI=1S/C18H21N3/c1-5-7-15-11-16(21-17(12-19)20-15)13-8-6-9-14(10-13)18(2,3)4/h6,8-11H,5,7H2,1-4H3 | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50313474
(4-cyclooctyl-6-propylpyrimidine-2-carbonitrile | C...)Show InChI InChI=1S/C16H23N3/c1-2-8-14-11-15(19-16(12-17)18-14)13-9-6-4-3-5-7-10-13/h11,13H,2-10H2,1H3 | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Cathepsin S
(Homo sapiens (Human)) | BDBM50313478
(4-(3-(tert-butylamino)propyl)-6-(3-(trifluoromethy...)Show SMILES CC(C)(C)NCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C19H21F3N4/c1-18(2,3)24-9-5-8-15-11-16(26-17(12-23)25-15)13-6-4-7-14(10-13)19(20,21)22/h4,6-7,10-11,24H,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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50313476
(4-(3-(piperidin-1-yl)propyl)-6-(3-(trifluoromethyl...)Show SMILES FC(F)(F)c1cccc(c1)-c1cc(CCCN2CCCCC2)nc(n1)C#N Show InChI InChI=1S/C20H21F3N4/c21-20(22,23)16-7-4-6-15(12-16)18-13-17(25-19(14-24)26-18)8-5-11-27-9-2-1-3-10-27/h4,6-7,12-13H,1-3,5,8-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50313465
(4-(4-chloro-3-(trifluoromethyl)phenyl)-6-propylpyr...)Show InChI InChI=1S/C15H11ClF3N3/c1-2-3-10-7-13(22-14(8-20)21-10)9-4-5-12(16)11(6-9)15(17,18)19/h4-7H,2-3H2,1H3 | 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 |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50313461
(4-propyl-6-(3-(trifluoromethyl)phenyl)pyrimidine-2...)Show InChI InChI=1S/C15H12F3N3/c1-2-4-12-8-13(21-14(9-19)20-12)10-5-3-6-11(7-10)15(16,17)18/h3,5-8H,2,4H2,1H3 | 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 | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Cathepsin K
(Homo sapiens (Human)) | BDBM50313465
(4-(4-chloro-3-(trifluoromethyl)phenyl)-6-propylpyr...)Show InChI InChI=1S/C15H11ClF3N3/c1-2-3-10-7-13(22-14(8-20)21-10)9-4-5-12(16)11(6-9)15(17,18)19/h4-7H,2-3H2,1H3 | 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 | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50313477
(4-(3-(pentan-3-ylamino)propyl)-6-(3-(trifluorometh...)Show SMILES CCC(CC)NCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C20H23F3N4/c1-3-16(4-2)25-10-6-9-17-12-18(27-19(13-24)26-17)14-7-5-8-15(11-14)20(21,22)23/h5,7-8,11-12,16,25H,3-4,6,9-10H2,1-2H3 | 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 | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50313461
(4-propyl-6-(3-(trifluoromethyl)phenyl)pyrimidine-2...)Show InChI InChI=1S/C15H12F3N3/c1-2-4-12-8-13(21-14(9-19)20-12)10-5-3-6-11(7-10)15(16,17)18/h3,5-8H,2,4H2,1H3 | 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 | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50313473
(4-cycloheptyl-6-propylpyrimidine-2-carbonitrile | ...)Show InChI InChI=1S/C15H21N3/c1-2-7-13-10-14(18-15(11-16)17-13)12-8-5-3-4-6-9-12/h10,12H,2-9H2,1H3 | 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 | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Cathepsin S
(Homo sapiens (Human)) | BDBM50313469
(4-(3-(methylsulfonyl)phenyl)-6-propylpyrimidine-2-...)Show InChI InChI=1S/C15H15N3O2S/c1-3-5-12-9-14(18-15(10-16)17-12)11-6-4-7-13(8-11)21(2,19)20/h4,6-9H,3,5H2,1-2H3 | 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 | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50313472
(4-(3,4-dimethylphenyl)-6-propylpyrimidine-2-carbon...)Show InChI InChI=1S/C16H17N3/c1-4-5-14-9-15(19-16(10-17)18-14)13-7-6-11(2)12(3)8-13/h6-9H,4-5H2,1-3H3 | 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 | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50313479
(4-cycloheptyl-6-(3-(piperidin-1-yl)propyl)pyrimidi...)Show InChI InChI=1S/C20H30N4/c21-16-20-22-18(11-8-14-24-12-6-3-7-13-24)15-19(23-20)17-9-4-1-2-5-10-17/h15,17H,1-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cathepsin K
(Homo sapiens (Human)) | BDBM50313469
(4-(3-(methylsulfonyl)phenyl)-6-propylpyrimidine-2-...)Show InChI InChI=1S/C15H15N3O2S/c1-3-5-12-9-14(18-15(10-16)17-12)11-6-4-7-13(8-11)21(2,19)20/h4,6-9H,3,5H2,1-2H3 | 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 | 148 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50313468
(4-(3-cyclopentylphenyl)-6-propylpyrimidine-2-carbo...)Show InChI InChI=1S/C19H21N3/c1-2-6-17-12-18(22-19(13-20)21-17)16-10-5-9-15(11-16)14-7-3-4-8-14/h5,9-12,14H,2-4,6-8H2,1H3 | 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 | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50313480
(4-(cyclohexylamino)-6-(piperazin-1-yl)-1,3,5-triaz...)Show InChI InChI=1S/C14H21N7/c15-10-12-18-13(17-11-4-2-1-3-5-11)20-14(19-12)21-8-6-16-7-9-21/h11,16H,1-9H2,(H,17,18,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50313476
(4-(3-(piperidin-1-yl)propyl)-6-(3-(trifluoromethyl...)Show SMILES FC(F)(F)c1cccc(c1)-c1cc(CCCN2CCCCC2)nc(n1)C#N Show InChI InChI=1S/C20H21F3N4/c21-20(22,23)16-7-4-6-15(12-16)18-13-17(25-19(14-24)26-18)8-5-11-27-9-2-1-3-10-27/h4,6-7,12-13H,1-3,5,8-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50313470
(4-propyl-6-m-tolylpyrimidine-2-carbonitrile | CHEM...)Show InChI InChI=1S/C15H15N3/c1-3-5-13-9-14(18-15(10-16)17-13)12-7-4-6-11(2)8-12/h4,6-9H,3,5H2,1-2H3 | 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 | 181 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50313471
(4-(3-cyanophenyl)-6-propylpyrimidine-2-carbonitril...)Show InChI InChI=1S/C15H12N4/c1-2-4-13-8-14(19-15(10-17)18-13)12-6-3-5-11(7-12)9-16/h3,5-8H,2,4H2,1H3 | 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 | 191 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50313467
(4-(3-tert-butylphenyl)-6-propylpyrimidine-2-carbon...)Show InChI InChI=1S/C18H21N3/c1-5-7-15-11-16(21-17(12-19)20-15)13-8-6-9-14(10-13)18(2,3)4/h6,8-11H,5,7H2,1-4H3 | 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 | 191 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50313471
(4-(3-cyanophenyl)-6-propylpyrimidine-2-carbonitril...)Show InChI InChI=1S/C15H12N4/c1-2-4-13-8-14(19-15(10-17)18-13)12-6-3-5-11(7-12)9-16/h3,5-8H,2,4H2,1H3 | 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 | 293 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50313477
(4-(3-(pentan-3-ylamino)propyl)-6-(3-(trifluorometh...)Show SMILES CCC(CC)NCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C20H23F3N4/c1-3-16(4-2)25-10-6-9-17-12-18(27-19(13-24)26-17)14-7-5-8-15(11-14)20(21,22)23/h5,7-8,11-12,16,25H,3-4,6,9-10H2,1-2H3 | 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 | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50313468
(4-(3-cyclopentylphenyl)-6-propylpyrimidine-2-carbo...)Show InChI InChI=1S/C19H21N3/c1-2-6-17-12-18(22-19(13-20)21-17)16-10-5-9-15(11-16)14-7-3-4-8-14/h5,9-12,14H,2-4,6-8H2,1H3 | 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 | 457 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50313480
(4-(cyclohexylamino)-6-(piperazin-1-yl)-1,3,5-triaz...)Show InChI InChI=1S/C14H21N7/c15-10-12-18-13(17-11-4-2-1-3-5-11)20-14(19-12)21-8-6-16-7-9-21/h11,16H,1-9H2,(H,17,18,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin B by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50313475
(4-cyclohexyl-6-propylpyrimidine-2-carbonitrile | C...)Show InChI InChI=1S/C14H19N3/c1-2-6-12-9-13(17-14(10-15)16-12)11-7-4-3-5-8-11/h9,11H,2-8H2,1H3 | 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 | 680 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Cathepsin K
(Homo sapiens (Human)) | BDBM50313462
(4-phenyl-6-propylpyrimidine-2-carbonitrile | CHEMB...)Show InChI InChI=1S/C14H13N3/c1-2-6-12-9-13(17-14(10-15)16-12)11-7-4-3-5-8-11/h3-5,7-9H,2,6H2,1H3 | 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 | 985 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50313464
(4-propyl-6-(4-(trifluoromethyl)phenyl)pyrimidine-2...)Show InChI InChI=1S/C15H12F3N3/c1-2-3-12-8-13(21-14(9-19)20-12)10-4-6-11(7-5-10)15(16,17)18/h4-8H,2-3H2,1H3 | 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+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50313466
(4-(2-chloro-3-(trifluoromethyl)phenyl)-6-propylpyr...)Show InChI InChI=1S/C15H11ClF3N3/c1-2-4-9-7-12(22-13(8-20)21-9)10-5-3-6-11(14(10)16)15(17,18)19/h3,5-7H,2,4H2,1H3 | 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+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50313466
(4-(2-chloro-3-(trifluoromethyl)phenyl)-6-propylpyr...)Show InChI InChI=1S/C15H11ClF3N3/c1-2-4-9-7-12(22-13(8-20)21-9)10-5-3-6-11(14(10)16)15(17,18)19/h3,5-7H,2,4H2,1H3 | 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 | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50313478
(4-(3-(tert-butylamino)propyl)-6-(3-(trifluoromethy...)Show SMILES CC(C)(C)NCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C19H21F3N4/c1-18(2,3)24-9-5-8-15-11-16(26-17(12-23)25-15)13-6-4-7-14(10-13)19(20,21)22/h4,6-7,10-11,24H,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 | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50313464
(4-propyl-6-(4-(trifluoromethyl)phenyl)pyrimidine-2...)Show InChI InChI=1S/C15H12F3N3/c1-2-3-12-8-13(21-14(9-19)20-12)10-4-6-11(7-5-10)15(16,17)18/h4-8H,2-3H2,1H3 | 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 | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50313470
(4-propyl-6-m-tolylpyrimidine-2-carbonitrile | CHEM...)Show InChI InChI=1S/C15H15N3/c1-3-5-13-9-14(18-15(10-16)17-13)12-7-4-6-11(2)8-12/h4,6-9H,3,5H2,1-2H3 | 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 | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50313473
(4-cycloheptyl-6-propylpyrimidine-2-carbonitrile | ...)Show InChI InChI=1S/C15H21N3/c1-2-7-13-10-14(18-15(11-16)17-13)12-8-5-3-4-6-9-12/h10,12H,2-9H2,1H3 | 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 | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50313480
(4-(cyclohexylamino)-6-(piperazin-1-yl)-1,3,5-triaz...)Show InChI InChI=1S/C14H21N7/c15-10-12-18-13(17-11-4-2-1-3-5-11)20-14(19-12)21-8-6-16-7-9-21/h11,16H,1-9H2,(H,17,18,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin L by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50313474
(4-cyclooctyl-6-propylpyrimidine-2-carbonitrile | C...)Show InChI InChI=1S/C16H23N3/c1-2-8-14-11-15(19-16(12-17)18-14)13-9-6-4-3-5-7-10-13/h11,13H,2-10H2,1H3 | 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 | 2.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50313477
(4-(3-(pentan-3-ylamino)propyl)-6-(3-(trifluorometh...)Show SMILES CCC(CC)NCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C20H23F3N4/c1-3-16(4-2)25-10-6-9-17-12-18(27-19(13-24)26-17)14-7-5-8-15(11-14)20(21,22)23/h5,7-8,11-12,16,25H,3-4,6,9-10H2,1-2H3 | 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 | 2.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin B by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50313463
(4-propyl-6-(2-(trifluoromethyl)phenyl)pyrimidine-2...)Show InChI InChI=1S/C15H12F3N3/c1-2-5-10-8-13(21-14(9-19)20-10)11-6-3-4-7-12(11)15(16,17)18/h3-4,6-8H,2,5H2,1H3 | 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 | 4.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50313476
(4-(3-(piperidin-1-yl)propyl)-6-(3-(trifluoromethyl...)Show SMILES FC(F)(F)c1cccc(c1)-c1cc(CCCN2CCCCC2)nc(n1)C#N Show InChI InChI=1S/C20H21F3N4/c21-20(22,23)16-7-4-6-15(12-16)18-13-17(25-19(14-24)26-18)8-5-11-27-9-2-1-3-10-27/h4,6-7,12-13H,1-3,5,8-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin B by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50313478
(4-(3-(tert-butylamino)propyl)-6-(3-(trifluoromethy...)Show SMILES CC(C)(C)NCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C19H21F3N4/c1-18(2,3)24-9-5-8-15-11-16(26-17(12-23)25-15)13-6-4-7-14(10-13)19(20,21)22/h4,6-7,10-11,24H,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 | 6.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin B by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50313477
(4-(3-(pentan-3-ylamino)propyl)-6-(3-(trifluorometh...)Show SMILES CCC(CC)NCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C20H23F3N4/c1-3-16(4-2)25-10-6-9-17-12-18(27-19(13-24)26-17)14-7-5-8-15(11-14)20(21,22)23/h5,7-8,11-12,16,25H,3-4,6,9-10H2,1-2H3 | 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 | 6.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin L by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50313478
(4-(3-(tert-butylamino)propyl)-6-(3-(trifluoromethy...)Show SMILES CC(C)(C)NCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C19H21F3N4/c1-18(2,3)24-9-5-8-15-11-16(26-17(12-23)25-15)13-6-4-7-14(10-13)19(20,21)22/h4,6-7,10-11,24H,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 | 9.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin L by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50313476
(4-(3-(piperidin-1-yl)propyl)-6-(3-(trifluoromethyl...)Show SMILES FC(F)(F)c1cccc(c1)-c1cc(CCCN2CCCCC2)nc(n1)C#N Show InChI InChI=1S/C20H21F3N4/c21-20(22,23)16-7-4-6-15(12-16)18-13-17(25-19(14-24)26-18)8-5-11-27-9-2-1-3-10-27/h4,6-7,12-13H,1-3,5,8-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin L by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50313462
(4-phenyl-6-propylpyrimidine-2-carbonitrile | CHEMB...)Show InChI InChI=1S/C14H13N3/c1-2-6-12-9-13(17-14(10-15)16-12)11-7-4-3-5-8-11/h3-5,7-9H,2,6H2,1H3 | 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 |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50313472
(4-(3,4-dimethylphenyl)-6-propylpyrimidine-2-carbon...)Show InChI InChI=1S/C16H17N3/c1-4-5-14-9-15(19-16(10-17)18-14)13-7-6-11(2)12(3)8-13/h6-9H,4-5H2,1-3H3 | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50313463
(4-propyl-6-(2-(trifluoromethyl)phenyl)pyrimidine-2...)Show InChI InChI=1S/C15H12F3N3/c1-2-5-10-8-13(21-14(9-19)20-10)11-6-3-4-7-12(11)15(16,17)18/h3-4,6-8H,2,5H2,1H3 | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50313479
(4-cycloheptyl-6-(3-(piperidin-1-yl)propyl)pyrimidi...)Show InChI InChI=1S/C20H30N4/c21-16-20-22-18(11-8-14-24-12-6-3-7-13-24)15-19(23-20)17-9-4-1-2-5-10-17/h15,17H,1-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin B by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50313479
(4-cycloheptyl-6-(3-(piperidin-1-yl)propyl)pyrimidi...)Show InChI InChI=1S/C20H30N4/c21-16-20-22-18(11-8-14-24-12-6-3-7-13-24)15-19(23-20)17-9-4-1-2-5-10-17/h15,17H,1-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50313479
(4-cycloheptyl-6-(3-(piperidin-1-yl)propyl)pyrimidi...)Show InChI InChI=1S/C20H30N4/c21-16-20-22-18(11-8-14-24-12-6-3-7-13-24)15-19(23-20)17-9-4-1-2-5-10-17/h15,17H,1-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin L by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50313475
(4-cyclohexyl-6-propylpyrimidine-2-carbonitrile | C...)Show InChI InChI=1S/C14H19N3/c1-2-6-12-9-13(17-14(10-15)16-12)11-7-4-3-5-8-11/h9,11H,2-8H2,1H3 | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay |
Bioorg Med Chem Lett 20: 1524-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH |
More data for this
Ligand-Target Pair | |
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