Found 35 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)) | BDBM50263557
(2-cyano-4-((1-isopropylpiperidin-4-yl)methoxy)-N-m...)Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(CC1)C(C)C)C#N Show InChI InChI=1S/C26H40N6O2/c1-18(2)32-13-7-20(8-14-32)17-34-25-22(24(33)28-3)23(30-21(15-27)31-25)29-16-19-5-11-26(12-6-19)9-4-10-26/h18-20H,4-14,16-17H2,1-3H3,(H,28,33)(H,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S by fluorometric assay |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50263609
(2-cyano-4-((1-(2-hydroxyethyl)piperidin-4-yl)metho...)Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(CCO)CC1)C#N Show InChI InChI=1S/C25H38N6O3/c1-27-23(33)21-22(28-16-18-3-9-25(10-4-18)7-2-8-25)29-20(15-26)30-24(21)34-17-19-5-11-31(12-6-19)13-14-32/h18-19,32H,2-14,16-17H2,1H3,(H,27,33)(H,28,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S by fluorometric assay |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50263555
(2-cyano-N-methyl-4-((1-methylpiperidin-4-yl)methox...)Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C24H36N6O2/c1-26-22(31)20-21(27-15-17-4-10-24(11-5-17)8-3-9-24)28-19(14-25)29-23(20)32-16-18-6-12-30(2)13-7-18/h17-18H,3-13,15-16H2,1-2H3,(H,26,31)(H,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S by fluorometric assay |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50263554
(2-cyano-N-methyl-4-(2-(1-methylpiperidin-4-yl)etho...)Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCCC1CCN(C)CC1)C#N Show InChI InChI=1S/C25H38N6O2/c1-27-23(32)21-22(28-17-19-4-11-25(12-5-19)9-3-10-25)29-20(16-26)30-24(21)33-15-8-18-6-13-31(2)14-7-18/h18-19H,3-15,17H2,1-2H3,(H,27,32)(H,28,29,30) | 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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S by fluorometric assay |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50263610
(2-cyano-N-methyl-4-(piperidin-4-ylmethoxy)-6-(spir...)Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCNCC1)C#N Show InChI InChI=1S/C23H34N6O2/c1-25-21(30)19-20(27-14-16-3-9-23(10-4-16)7-2-8-23)28-18(13-24)29-22(19)31-15-17-5-11-26-12-6-17/h16-17,26H,2-12,14-15H2,1H3,(H,25,30)(H,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S by fluorometric assay |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50263611
(2-cyano-N-methyl-4-(spiro[3.5]nonan-7-ylmethylamin...)Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OC1CC(C)(C)NC(C)(C)C1)C#N Show InChI InChI=1S/C26H40N6O2/c1-24(2)13-18(14-25(3,4)32-24)34-23-20(22(33)28-5)21(30-19(15-27)31-23)29-16-17-7-11-26(12-8-17)9-6-10-26/h17-18,32H,6-14,16H2,1-5H3,(H,28,33)(H,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S by fluorometric assay |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50263667
(2-cyano-4-(2-hydroxyethoxy)-N-methyl-6-(spiro[3.5]...)Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCCO)C#N Show InChI InChI=1S/C19H27N5O3/c1-21-17(26)15-16(23-14(11-20)24-18(15)27-10-9-25)22-12-13-3-7-19(8-4-13)5-2-6-19/h13,25H,2-10,12H2,1H3,(H,21,26)(H,22,23,24) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S by fluorometric assay |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50263612
(4-((1-acetylpiperidin-4-yl)methoxy)-2-cyano-N-meth...)Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(CC1)C(C)=O)C#N Show InChI InChI=1S/C25H36N6O3/c1-17(32)31-12-6-19(7-13-31)16-34-24-21(23(33)27-2)22(29-20(14-26)30-24)28-15-18-4-10-25(11-5-18)8-3-9-25/h18-19H,3-13,15-16H2,1-2H3,(H,27,33)(H,28,29,30) | 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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S by fluorometric assay |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50263511
(2-cyano-N-methyl-4-((1-methylpiperidin-4-yl)methox...)Show SMILES CNC(=O)c1c(NCC2CCC3(CCCC3)CC2)nc(nc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C25H38N6O2/c1-27-23(32)21-22(28-16-18-5-11-25(12-6-18)9-3-4-10-25)29-20(15-26)30-24(21)33-17-19-7-13-31(2)14-8-19/h18-19H,3-14,16-17H2,1-2H3,(H,27,32)(H,28,29,30) | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S by fluorometric assay |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50263556
(2-cyano-4-(2-cyclopentylethylamino)-N-methyl-6-((1...)Show SMILES CNC(=O)c1c(NCCC2CCCC2)nc(nc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C21H32N6O2/c1-23-20(28)18-19(24-10-7-15-5-3-4-6-15)25-17(13-22)26-21(18)29-14-16-8-11-27(2)12-9-16/h15-16H,3-12,14H2,1-2H3,(H,23,28)(H,24,25,26) | 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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S by fluorometric assay |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50263510
(4-(1,4-dioxaspiro[4.5]decan-8-ylmethylamino)-2-cya...)Show SMILES CNC(=O)c1c(NCC2CCC3(CC2)OCCO3)nc(nc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C23H34N6O4/c1-25-21(30)19-20(26-14-16-3-7-23(8-4-16)32-11-12-33-23)27-18(13-24)28-22(19)31-15-17-5-9-29(2)10-6-17/h16-17H,3-12,14-15H2,1-2H3,(H,25,30)(H,26,27,28) | 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 | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S by fluorometric assay |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50263511
(2-cyano-N-methyl-4-((1-methylpiperidin-4-yl)methox...)Show SMILES CNC(=O)c1c(NCC2CCC3(CCCC3)CC2)nc(nc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C25H38N6O2/c1-27-23(32)21-22(28-16-18-5-11-25(12-6-18)9-3-4-10-25)29-20(15-26)30-24(21)33-17-19-7-13-31(2)14-8-19/h18-19H,3-14,16-17H2,1-2H3,(H,27,32)(H,28,29,30) | 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 | 276 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin L by fluorometric assay |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50263609
(2-cyano-4-((1-(2-hydroxyethyl)piperidin-4-yl)metho...)Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(CCO)CC1)C#N Show InChI InChI=1S/C25H38N6O3/c1-27-23(33)21-22(28-16-18-3-9-25(10-4-18)7-2-8-25)29-20(15-26)30-24(21)34-17-19-5-11-31(12-6-19)13-14-32/h18-19,32H,2-14,16-17H2,1H3,(H,27,33)(H,28,29,30) | 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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin L by fluorometric assay |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50263557
(2-cyano-4-((1-isopropylpiperidin-4-yl)methoxy)-N-m...)Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(CC1)C(C)C)C#N Show InChI InChI=1S/C26H40N6O2/c1-18(2)32-13-7-20(8-14-32)17-34-25-22(24(33)28-3)23(30-21(15-27)31-25)29-16-19-5-11-26(12-6-19)9-4-10-26/h18-20H,4-14,16-17H2,1-3H3,(H,28,33)(H,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin L by fluorometric assay |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50263555
(2-cyano-N-methyl-4-((1-methylpiperidin-4-yl)methox...)Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C24H36N6O2/c1-26-22(31)20-21(27-15-17-4-10-24(11-5-17)8-3-9-24)28-19(14-25)29-23(20)32-16-18-6-12-30(2)13-7-18/h17-18H,3-13,15-16H2,1-2H3,(H,26,31)(H,27,28,29) | 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 | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin L by fluorometric assay |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50263556
(2-cyano-4-(2-cyclopentylethylamino)-N-methyl-6-((1...)Show SMILES CNC(=O)c1c(NCCC2CCCC2)nc(nc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C21H32N6O2/c1-23-20(28)18-19(24-10-7-15-5-3-4-6-15)25-17(13-22)26-21(18)29-14-16-8-11-27(2)12-9-16/h15-16H,3-12,14H2,1-2H3,(H,23,28)(H,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human ERG in HEK293 cells |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50263556
(2-cyano-4-(2-cyclopentylethylamino)-N-methyl-6-((1...)Show SMILES CNC(=O)c1c(NCCC2CCCC2)nc(nc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C21H32N6O2/c1-23-20(28)18-19(24-10-7-15-5-3-4-6-15)25-17(13-22)26-21(18)29-14-16-8-11-27(2)12-9-16/h15-16H,3-12,14H2,1-2H3,(H,23,28)(H,24,25,26) | 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 | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin L by fluorometric assay |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50263554
(2-cyano-N-methyl-4-(2-(1-methylpiperidin-4-yl)etho...)Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCCC1CCN(C)CC1)C#N Show InChI InChI=1S/C25H38N6O2/c1-27-23(32)21-22(28-17-19-4-11-25(12-5-19)9-3-10-25)29-20(16-26)30-24(21)33-15-8-18-6-13-31(2)14-7-18/h18-19H,3-15,17H2,1-2H3,(H,27,32)(H,28,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human ERG in HEK293 cells |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50263510
(4-(1,4-dioxaspiro[4.5]decan-8-ylmethylamino)-2-cya...)Show SMILES CNC(=O)c1c(NCC2CCC3(CC2)OCCO3)nc(nc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C23H34N6O4/c1-25-21(30)19-20(26-14-16-3-7-23(8-4-16)32-11-12-33-23)27-18(13-24)28-22(19)31-15-17-5-9-29(2)10-6-17/h16-17H,3-12,14-15H2,1-2H3,(H,25,30)(H,26,27,28) | 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 | 426 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin L by fluorometric assay |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50263554
(2-cyano-N-methyl-4-(2-(1-methylpiperidin-4-yl)etho...)Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCCC1CCN(C)CC1)C#N Show InChI InChI=1S/C25H38N6O2/c1-27-23(32)21-22(28-17-19-4-11-25(12-5-19)9-3-10-25)29-20(16-26)30-24(21)33-15-8-18-6-13-31(2)14-7-18/h18-19H,3-15,17H2,1-2H3,(H,27,32)(H,28,29,30) | 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 | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin L by fluorometric assay |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50263610
(2-cyano-N-methyl-4-(piperidin-4-ylmethoxy)-6-(spir...)Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCNCC1)C#N Show InChI InChI=1S/C23H34N6O2/c1-25-21(30)19-20(27-14-16-3-9-23(10-4-16)7-2-8-23)28-18(13-24)29-22(19)31-15-17-5-11-26-12-6-17/h16-17,26H,2-12,14-15H2,1H3,(H,25,30)(H,27,28,29) | 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 | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin L by fluorometric assay |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50263557
(2-cyano-4-((1-isopropylpiperidin-4-yl)methoxy)-N-m...)Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(CC1)C(C)C)C#N Show InChI InChI=1S/C26H40N6O2/c1-18(2)32-13-7-20(8-14-32)17-34-25-22(24(33)28-3)23(30-21(15-27)31-25)29-16-19-5-11-26(12-6-19)9-4-10-26/h18-20H,4-14,16-17H2,1-3H3,(H,28,33)(H,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human ERG in HEK293 cells |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50263555
(2-cyano-N-methyl-4-((1-methylpiperidin-4-yl)methox...)Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C24H36N6O2/c1-26-22(31)20-21(27-15-17-4-10-24(11-5-17)8-3-9-24)28-19(14-25)29-23(20)32-16-18-6-12-30(2)13-7-18/h17-18H,3-13,15-16H2,1-2H3,(H,26,31)(H,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human ERG in HEK293 cells |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50263609
(2-cyano-4-((1-(2-hydroxyethyl)piperidin-4-yl)metho...)Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(CCO)CC1)C#N Show InChI InChI=1S/C25H38N6O3/c1-27-23(33)21-22(28-16-18-3-9-25(10-4-18)7-2-8-25)29-20(15-26)30-24(21)34-17-19-5-11-31(12-6-19)13-14-32/h18-19,32H,2-14,16-17H2,1H3,(H,27,33)(H,28,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 890 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human ERG in HEK293 cells |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50263512
(4-(6,8-dioxaspiro[3.5]nonan-7-ylmethylamino)-2-cya...)Show SMILES CNC(=O)c1c(NCC2OCC3(CCC3)CO2)nc(nc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C22H32N6O4/c1-24-20(29)18-19(25-11-17-31-13-22(14-32-17)6-3-7-22)26-16(10-23)27-21(18)30-12-15-4-8-28(2)9-5-15/h15,17H,3-9,11-14H2,1-2H3,(H,24,29)(H,25,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin S by fluorometric assay |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50263512
(4-(6,8-dioxaspiro[3.5]nonan-7-ylmethylamino)-2-cya...)Show SMILES CNC(=O)c1c(NCC2OCC3(CCC3)CO2)nc(nc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C22H32N6O4/c1-24-20(29)18-19(25-11-17-31-13-22(14-32-17)6-3-7-22)26-16(10-23)27-21(18)30-12-15-4-8-28(2)9-5-15/h15,17H,3-9,11-14H2,1-2H3,(H,24,29)(H,25,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin L by fluorometric assay |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50263667
(2-cyano-4-(2-hydroxyethoxy)-N-methyl-6-(spiro[3.5]...)Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCCO)C#N Show InChI InChI=1S/C19H27N5O3/c1-21-17(26)15-16(23-14(11-20)24-18(15)27-10-9-25)22-12-13-3-7-19(8-4-13)5-2-6-19/h13,25H,2-10,12H2,1H3,(H,21,26)(H,22,23,24) | 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 | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin L by fluorometric assay |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50263611
(2-cyano-N-methyl-4-(spiro[3.5]nonan-7-ylmethylamin...)Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OC1CC(C)(C)NC(C)(C)C1)C#N Show InChI InChI=1S/C26H40N6O2/c1-24(2)13-18(14-25(3,4)32-24)34-23-20(22(33)28-5)21(30-19(15-27)31-23)29-16-17-7-11-26(12-8-17)9-6-10-26/h17-18,32H,6-14,16H2,1-5H3,(H,28,33)(H,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin L by fluorometric assay |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50263511
(2-cyano-N-methyl-4-((1-methylpiperidin-4-yl)methox...)Show SMILES CNC(=O)c1c(NCC2CCC3(CCCC3)CC2)nc(nc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C25H38N6O2/c1-27-23(32)21-22(28-16-18-5-11-25(12-6-18)9-3-4-10-25)29-20(15-26)30-24(21)33-17-19-7-13-31(2)14-8-19/h18-19H,3-14,16-17H2,1-2H3,(H,27,32)(H,28,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human ERG in HEK293 cells |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50263610
(2-cyano-N-methyl-4-(piperidin-4-ylmethoxy)-6-(spir...)Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCNCC1)C#N Show InChI InChI=1S/C23H34N6O2/c1-25-21(30)19-20(27-14-16-3-9-23(10-4-16)7-2-8-23)28-18(13-24)29-22(19)31-15-17-5-11-26-12-6-17/h16-17,26H,2-12,14-15H2,1H3,(H,25,30)(H,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human ERG in HEK293 cells |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50263612
(4-((1-acetylpiperidin-4-yl)methoxy)-2-cyano-N-meth...)Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(CC1)C(C)=O)C#N Show InChI InChI=1S/C25H36N6O3/c1-17(32)31-12-6-19(7-13-31)16-34-24-21(23(33)27-2)22(29-20(14-26)30-24)28-15-18-4-10-25(11-5-18)8-3-9-25/h18-19H,3-13,15-16H2,1-2H3,(H,27,33)(H,28,29,30) | 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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin L by fluorometric assay |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50263611
(2-cyano-N-methyl-4-(spiro[3.5]nonan-7-ylmethylamin...)Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OC1CC(C)(C)NC(C)(C)C1)C#N Show InChI InChI=1S/C26H40N6O2/c1-24(2)13-18(14-25(3,4)32-24)34-23-20(22(33)28-5)21(30-19(15-27)31-23)29-16-17-7-11-26(12-8-17)9-6-10-26/h17-18,32H,6-14,16H2,1-5H3,(H,28,33)(H,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human ERG in HEK293 cells |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50263510
(4-(1,4-dioxaspiro[4.5]decan-8-ylmethylamino)-2-cya...)Show SMILES CNC(=O)c1c(NCC2CCC3(CC2)OCCO3)nc(nc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C23H34N6O4/c1-25-21(30)19-20(26-14-16-3-7-23(8-4-16)32-11-12-33-23)27-18(13-24)28-22(19)31-15-17-5-9-29(2)10-6-17/h16-17H,3-12,14-15H2,1-2H3,(H,25,30)(H,26,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human ERG in HEK293 cells |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50263667
(2-cyano-4-(2-hydroxyethoxy)-N-methyl-6-(spiro[3.5]...)Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCCO)C#N Show InChI InChI=1S/C19H27N5O3/c1-21-17(26)15-16(23-14(11-20)24-18(15)27-10-9-25)22-12-13-3-7-19(8-4-13)5-2-6-19/h13,25H,2-10,12H2,1H3,(H,21,26)(H,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human ERG in HEK293 cells |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50263612
(4-((1-acetylpiperidin-4-yl)methoxy)-2-cyano-N-meth...)Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(CC1)C(C)=O)C#N Show InChI InChI=1S/C25H36N6O3/c1-17(32)31-12-6-19(7-13-31)16-34-24-21(23(33)27-2)22(29-20(14-26)30-24)28-15-18-4-10-25(11-5-18)8-3-9-25/h18-19H,3-13,15-16H2,1-2H3,(H,27,33)(H,28,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human ERG in HEK293 cells |
Bioorg Med Chem Lett 18: 5280-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6 |
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Ligand-Target Pair | |
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