Found 7 hits for monomerid = 50152748 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 |
Hepatitis C virus serine protease, NS3/NS4A
(Hepatitis C virus) | BDBM50152748
((S)-2-((S)-2-{(S)-2-Cyclohexyl-2-[(pyrazine-2-carb...)Show SMILES CCCC(NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)N[C@H](C)CC Show InChI InChI=1S/C37H57N7O6/c1-7-13-26(30(45)35(49)40-22(3)8-2)41-34(48)29-25-17-12-16-24(25)21-44(29)36(50)31(37(4,5)6)43-33(47)28(23-14-10-9-11-15-23)42-32(46)27-20-38-18-19-39-27/h18-20,22-26,28-29,31H,7-17,21H2,1-6H3,(H,40,49)(H,41,48)(H,42,46)(H,43,47)/t22-,24?,25?,26?,28+,29+,31-/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratory
Curated by ChEMBL
| Assay Description Inhibition of HCV NS3 protease in the pNA based inhibition assay |
Bioorg Med Chem Lett 14: 5007-11 (2004)
Article DOI: 10.1016/j.bmcl.2004.07.007 BindingDB Entry DOI: 10.7270/Q29P314N |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50152748
((S)-2-((S)-2-{(S)-2-Cyclohexyl-2-[(pyrazine-2-carb...)Show SMILES CCCC(NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)N[C@H](C)CC Show InChI InChI=1S/C37H57N7O6/c1-7-13-26(30(45)35(49)40-22(3)8-2)41-34(48)29-25-17-12-16-24(25)21-44(29)36(50)31(37(4,5)6)43-33(47)28(23-14-10-9-11-15-23)42-32(46)27-20-38-18-19-39-27/h18-20,22-26,28-29,31H,7-17,21H2,1-6H3,(H,40,49)(H,41,48)(H,42,46)(H,43,47)/t22-,24?,25?,26?,28+,29+,31-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratory
Curated by ChEMBL
| Assay Description Binding affinity towards human cathepsin B |
Bioorg Med Chem Lett 14: 5007-11 (2004)
Article DOI: 10.1016/j.bmcl.2004.07.007 BindingDB Entry DOI: 10.7270/Q29P314N |
More data for this Ligand-Target Pair | |
Trypsin
(Homo sapiens (Human)) | BDBM50152748
((S)-2-((S)-2-{(S)-2-Cyclohexyl-2-[(pyrazine-2-carb...)Show SMILES CCCC(NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)N[C@H](C)CC Show InChI InChI=1S/C37H57N7O6/c1-7-13-26(30(45)35(49)40-22(3)8-2)41-34(48)29-25-17-12-16-24(25)21-44(29)36(50)31(37(4,5)6)43-33(47)28(23-14-10-9-11-15-23)42-32(46)27-20-38-18-19-39-27/h18-20,22-26,28-29,31H,7-17,21H2,1-6H3,(H,40,49)(H,41,48)(H,42,46)(H,43,47)/t22-,24?,25?,26?,28+,29+,31-/m1/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratory
Curated by ChEMBL
| Assay Description Binding affinity towards human trypsin |
Bioorg Med Chem Lett 14: 5007-11 (2004)
Article DOI: 10.1016/j.bmcl.2004.07.007 BindingDB Entry DOI: 10.7270/Q29P314N |
More data for this Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50152748
((S)-2-((S)-2-{(S)-2-Cyclohexyl-2-[(pyrazine-2-carb...)Show SMILES CCCC(NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)N[C@H](C)CC Show InChI InChI=1S/C37H57N7O6/c1-7-13-26(30(45)35(49)40-22(3)8-2)41-34(48)29-25-17-12-16-24(25)21-44(29)36(50)31(37(4,5)6)43-33(47)28(23-14-10-9-11-15-23)42-32(46)27-20-38-18-19-39-27/h18-20,22-26,28-29,31H,7-17,21H2,1-6H3,(H,40,49)(H,41,48)(H,42,46)(H,43,47)/t22-,24?,25?,26?,28+,29+,31-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratory
Curated by ChEMBL
| Assay Description Binding affinity towards human plasmin |
Bioorg Med Chem Lett 14: 5007-11 (2004)
Article DOI: 10.1016/j.bmcl.2004.07.007 BindingDB Entry DOI: 10.7270/Q29P314N |
More data for this Ligand-Target Pair | |
Beta-chymotrypsin
(Homo sapiens (Human)) | BDBM50152748
((S)-2-((S)-2-{(S)-2-Cyclohexyl-2-[(pyrazine-2-carb...)Show SMILES CCCC(NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)N[C@H](C)CC Show InChI InChI=1S/C37H57N7O6/c1-7-13-26(30(45)35(49)40-22(3)8-2)41-34(48)29-25-17-12-16-24(25)21-44(29)36(50)31(37(4,5)6)43-33(47)28(23-14-10-9-11-15-23)42-32(46)27-20-38-18-19-39-27/h18-20,22-26,28-29,31H,7-17,21H2,1-6H3,(H,40,49)(H,41,48)(H,42,46)(H,43,47)/t22-,24?,25?,26?,28+,29+,31-/m1/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratory
Curated by ChEMBL
| Assay Description Binding affinity towards human Chymotrypsinogen |
Bioorg Med Chem Lett 14: 5007-11 (2004)
Article DOI: 10.1016/j.bmcl.2004.07.007 BindingDB Entry DOI: 10.7270/Q29P314N |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50152748
((S)-2-((S)-2-{(S)-2-Cyclohexyl-2-[(pyrazine-2-carb...)Show SMILES CCCC(NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)N[C@H](C)CC Show InChI InChI=1S/C37H57N7O6/c1-7-13-26(30(45)35(49)40-22(3)8-2)41-34(48)29-25-17-12-16-24(25)21-44(29)36(50)31(37(4,5)6)43-33(47)28(23-14-10-9-11-15-23)42-32(46)27-20-38-18-19-39-27/h18-20,22-26,28-29,31H,7-17,21H2,1-6H3,(H,40,49)(H,41,48)(H,42,46)(H,43,47)/t22-,24?,25?,26?,28+,29+,31-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratory
Curated by ChEMBL
| Assay Description Binding affinity towards human thrombin |
Bioorg Med Chem Lett 14: 5007-11 (2004)
Article DOI: 10.1016/j.bmcl.2004.07.007 BindingDB Entry DOI: 10.7270/Q29P314N |
More data for this Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50152748
((S)-2-((S)-2-{(S)-2-Cyclohexyl-2-[(pyrazine-2-carb...)Show SMILES CCCC(NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)N[C@H](C)CC Show InChI InChI=1S/C37H57N7O6/c1-7-13-26(30(45)35(49)40-22(3)8-2)41-34(48)29-25-17-12-16-24(25)21-44(29)36(50)31(37(4,5)6)43-33(47)28(23-14-10-9-11-15-23)42-32(46)27-20-38-18-19-39-27/h18-20,22-26,28-29,31H,7-17,21H2,1-6H3,(H,40,49)(H,41,48)(H,42,46)(H,43,47)/t22-,24?,25?,26?,28+,29+,31-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.07E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratory
Curated by ChEMBL
| Assay Description Binding affinity towards human cathepsin L |
Bioorg Med Chem Lett 14: 5007-11 (2004)
Article DOI: 10.1016/j.bmcl.2004.07.007 BindingDB Entry DOI: 10.7270/Q29P314N |
More data for this Ligand-Target Pair | |