Found 5 hits for monomerid = 50313478 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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 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 | |
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 UniProtKB/TrEMBL
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 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 UniProtKB/TrEMBL
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)) | 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 UniProtKB/TrEMBL
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 | |