Found 821 hits with Last Name = 'tripathy' and Initial = 'r' 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 |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50065404
((R)-N-((S)-5-Benzenesulfonylamino-1-formyl-pentyl)...)Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](CCCCNS(=O)(=O)c1ccccc1)C=O Show InChI InChI=1S/C23H31N3O7S2/c1-34(29,30)26-22(18-33-17-19-10-4-2-5-11-19)23(28)25-20(16-27)12-8-9-15-24-35(31,32)21-13-6-3-7-14-21/h2-7,10-11,13-14,16,20,22,24,26H,8-9,12,15,17-18H2,1H3,(H,25,28)/t20-,22+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against recombinant human Calpain-I receptor |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50361052
(CHEMBL1935589 | CHEMBL1949758)Show InChI InChI=1S/C17H15NO3S/c19-22(20,12-4-2-1-3-5-12)13-6-7-14-15-8-9-18-11-17(15)21-16(14)10-13/h1-7,10,18H,8-9,11H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026 BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50364326
(CHEMBL1949930)Show SMILES COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C21H25NO5S/c1-13(2)26-15-8-14(25-3)9-17(10-15)28(23,24)16-4-5-18-19-6-7-22-12-21(19)27-20(18)11-16/h4-5,8-11,13,19,21-22H,6-7,12H2,1-3H3/t19-,21-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026 BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50065398
((R)-3-Benzyloxy-N-[(S)-1-(4-benzyloxy-benzyl)-2-ox...)Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C=O Show InChI InChI=1S/C27H30N2O6S/c1-36(32,33)29-26(20-34-18-22-8-4-2-5-9-22)27(31)28-24(17-30)16-21-12-14-25(15-13-21)35-19-23-10-6-3-7-11-23/h2-15,17,24,26,29H,16,18-20H2,1H3,(H,28,31)/t24-,26+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against recombinant human Calpain-I receptor |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50065404
((R)-N-((S)-5-Benzenesulfonylamino-1-formyl-pentyl)...)Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](CCCCNS(=O)(=O)c1ccccc1)C=O Show InChI InChI=1S/C23H31N3O7S2/c1-34(29,30)26-22(18-33-17-19-10-4-2-5-11-19)23(28)25-20(16-27)12-8-9-15-24-35(31,32)21-13-6-3-7-14-21/h2-7,10-11,13-14,16,20,22,24,26H,8-9,12,15,17-18H2,1H3,(H,25,28)/t20-,22+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against cathepsin B receptor in human liver |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50364326
(CHEMBL1949930)Show SMILES COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C21H25NO5S/c1-13(2)26-15-8-14(25-3)9-17(10-15)28(23,24)16-4-5-18-19-6-7-22-12-21(19)27-20(18)11-16/h4-5,8-11,13,19,21-22H,6-7,12H2,1-3H3/t19-,21-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026 BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50065407
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-met...)Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C20H24N2O5S/c1-28(25,26)22-19(15-27-14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,13,18-19,22H,12,14-15H2,1H3,(H,21,24)/t18-,19+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against Calpain-II receptor in porcine kidney |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50364323
(CHEMBL1949928)Show SMILES Clc1cccc(c1Cl)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C17H15Cl2NO3S/c18-13-2-1-3-16(17(13)19)24(21,22)10-4-5-11-12-6-7-20-9-15(12)23-14(11)8-10/h1-5,8,12,15,20H,6-7,9H2/t12-,15-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026 BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50364323
(CHEMBL1949928)Show SMILES Clc1cccc(c1Cl)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C17H15Cl2NO3S/c18-13-2-1-3-16(17(13)19)24(21,22)10-4-5-11-12-6-7-20-9-15(12)23-14(11)8-10/h1-5,8,12,15,20H,6-7,9H2/t12-,15-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026 BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50065398
((R)-3-Benzyloxy-N-[(S)-1-(4-benzyloxy-benzyl)-2-ox...)Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C=O Show InChI InChI=1S/C27H30N2O6S/c1-36(32,33)29-26(20-34-18-22-8-4-2-5-9-22)27(31)28-24(17-30)16-21-12-14-25(15-13-21)35-19-23-10-6-3-7-11-23/h2-15,17,24,26,29H,16,18-20H2,1H3,(H,28,31)/t24-,26+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against Calpain-II receptor in porcine kidney |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50065401
((S)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzylsulfanyl-...)Show SMILES CS(=O)(=O)N[C@H](CSCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C20H24N2O4S2/c1-28(25,26)22-19(15-27-14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,13,18-19,22H,12,14-15H2,1H3,(H,21,24)/t18-,19+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against recombinant human Calpain-I receptor |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50065399
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-met...)Show SMILES CC(OCc1ccccc1)[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C21H26N2O5S/c1-16(28-15-18-11-7-4-8-12-18)20(23-29(2,26)27)21(25)22-19(14-24)13-17-9-5-3-6-10-17/h3-12,14,16,19-20,23H,13,15H2,1-2H3,(H,22,25)/t16?,19-,20+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against Calpain-II receptor in porcine kidney |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50065401
((S)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzylsulfanyl-...)Show SMILES CS(=O)(=O)N[C@H](CSCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C20H24N2O4S2/c1-28(25,26)22-19(15-27-14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,13,18-19,22H,12,14-15H2,1H3,(H,21,24)/t18-,19+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against Calpain-II receptor in porcine kidney |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50014577
(CHEMBL286722 | MDL-2170 | Z-Val-Phe-H | [(S)-1-((S...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O |r| Show InChI InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19-,20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against recombinant human Calpain-I receptor |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50065407
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-met...)Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C20H24N2O5S/c1-28(25,26)22-19(15-27-14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,13,18-19,22H,12,14-15H2,1H3,(H,21,24)/t18-,19+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against recombinant human Calpain-I receptor |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50065396
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-eth...)Show SMILES CCS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C21H26N2O5S/c1-2-29(26,27)23-20(16-28-15-18-11-7-4-8-12-18)21(25)22-19(14-24)13-17-9-5-3-6-10-17/h3-12,14,19-20,23H,2,13,15-16H2,1H3,(H,22,25)/t19-,20+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against recombinant human Calpain-I receptor |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50065399
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-met...)Show SMILES CC(OCc1ccccc1)[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C21H26N2O5S/c1-16(28-15-18-11-7-4-8-12-18)20(23-29(2,26)27)21(25)22-19(14-24)13-17-9-5-3-6-10-17/h3-12,14,16,19-20,23H,13,15H2,1-2H3,(H,22,25)/t16?,19-,20+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against recombinant human Calpain-I receptor |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50065396
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-eth...)Show SMILES CCS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C21H26N2O5S/c1-2-29(26,27)23-20(16-28-15-18-11-7-4-8-12-18)21(25)22-19(14-24)13-17-9-5-3-6-10-17/h3-12,14,19-20,23H,2,13,15-16H2,1H3,(H,22,25)/t19-,20+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against Calpain-II receptor in porcine kidney |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50065411
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-2-methanesulfonyl...)Show SMILES CS(=O)(=O)N[C@@H](C(=O)N[C@@H](Cc1ccccc1)C=O)c1ccccc1 Show InChI InChI=1S/C18H20N2O4S/c1-25(23,24)20-17(15-10-6-3-7-11-15)18(22)19-16(13-21)12-14-8-4-2-5-9-14/h2-11,13,16-17,20H,12H2,1H3,(H,19,22)/t16-,17+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against recombinant human Calpain-I receptor |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50065412
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-(th...)Show SMILES O=C[C@H](Cc1ccccc1)NC(=O)[C@@H](COCc1ccccc1)NS(=O)(=O)c1cccs1 Show InChI InChI=1S/C23H24N2O5S2/c26-15-20(14-18-8-3-1-4-9-18)24-23(27)21(17-30-16-19-10-5-2-6-11-19)25-32(28,29)22-12-7-13-31-22/h1-13,15,20-21,25H,14,16-17H2,(H,24,27)/t20-,21+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against recombinant human Calpain-I receptor |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50065405
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-(1H-indol-3-yl)...)Show SMILES CS(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C21H23N3O4S/c1-29(27,28)24-20(12-16-13-22-19-10-6-5-9-18(16)19)21(26)23-17(14-25)11-15-7-3-2-4-8-15/h2-10,13-14,17,20,22,24H,11-12H2,1H3,(H,23,26)/t17-,20+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against recombinant human Calpain-I receptor |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50065408
((S)-N-((S)-1-Benzyl-2-oxo-ethyl)-2-methanesulfonyl...)Show SMILES CS(=O)(=O)N[C@H](CS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C20H24N2O6S2/c1-29(25,26)22-19(15-30(27,28)14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,13,18-19,22H,12,14-15H2,1H3,(H,21,24)/t18-,19+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against recombinant human Calpain-I receptor |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50065400
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-2-methanesulfonyl...)Show SMILES CS(=O)(=O)N[C@H](Cc1cccs1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C17H20N2O4S2/c1-25(22,23)19-16(11-15-8-5-9-24-15)17(21)18-14(12-20)10-13-6-3-2-4-7-13/h2-9,12,14,16,19H,10-11H2,1H3,(H,18,21)/t14-,16+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against Calpain-II receptor in porcine kidney |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50065400
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-2-methanesulfonyl...)Show SMILES CS(=O)(=O)N[C@H](Cc1cccs1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C17H20N2O4S2/c1-25(22,23)19-16(11-15-8-5-9-24-15)17(21)18-14(12-20)10-13-6-3-2-4-7-13/h2-9,12,14,16,19H,10-11H2,1H3,(H,18,21)/t14-,16+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against recombinant human Calpain-I receptor |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50065403
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-2-methanesulfonyl...)Show SMILES CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C19H22N2O4S/c1-26(24,25)21-18(13-16-10-6-3-7-11-16)19(23)20-17(14-22)12-15-8-4-2-5-9-15/h2-11,14,17-18,21H,12-13H2,1H3,(H,20,23)/t17-,18+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against recombinant human Calpain-I receptor |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50364311
(CHEMBL1949763)Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C17H16FNO3S/c18-11-2-1-3-12(8-11)23(20,21)13-4-5-14-15-6-7-19-10-17(15)22-16(14)9-13/h1-5,8-9,15,17,19H,6-7,10H2/t15-,17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026 BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50364312
(CHEMBL1949764)Show SMILES Clc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C17H16ClNO3S/c18-11-2-1-3-12(8-11)23(20,21)13-4-5-14-15-6-7-19-10-17(15)22-16(14)9-13/h1-5,8-9,15,17,19H,6-7,10H2/t15-,17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026 BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50065403
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-2-methanesulfonyl...)Show SMILES CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C19H22N2O4S/c1-26(24,25)21-18(13-16-10-6-3-7-11-16)19(23)20-17(14-22)12-15-8-4-2-5-9-15/h2-11,14,17-18,21H,12-13H2,1H3,(H,20,23)/t17-,18+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against Calpain-II receptor in porcine kidney |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50364310
(CHEMBL1949762)Show SMILES O=S(=O)(c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C23H21NO3S/c25-28(26,23-9-5-4-8-18(23)16-6-2-1-3-7-16)17-10-11-19-20-12-13-24-15-22(20)27-21(19)14-17/h1-11,14,20,22,24H,12-13,15H2/t20-,22-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026 BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50065404
((R)-N-((S)-5-Benzenesulfonylamino-1-formyl-pentyl)...)Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](CCCCNS(=O)(=O)c1ccccc1)C=O Show InChI InChI=1S/C23H31N3O7S2/c1-34(29,30)26-22(18-33-17-19-10-4-2-5-11-19)23(28)25-20(16-27)12-8-9-15-24-35(31,32)21-13-6-3-7-14-21/h2-7,10-11,13-14,16,20,22,24,26H,8-9,12,15,17-18H2,1H3,(H,25,28)/t20-,22+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against Calpain-II receptor in porcine kidney |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50364316
(CHEMBL1949768)Show SMILES CC(C)Oc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C20H23NO4S/c1-13(2)24-14-4-3-5-15(10-14)26(22,23)16-6-7-17-18-8-9-21-12-20(18)25-19(17)11-16/h3-7,10-11,13,18,20-21H,8-9,12H2,1-2H3/t18-,20-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026 BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50364311
(CHEMBL1949763)Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C17H16FNO3S/c18-11-2-1-3-12(8-11)23(20,21)13-4-5-14-15-6-7-19-10-17(15)22-16(14)9-13/h1-5,8-9,15,17,19H,6-7,10H2/t15-,17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026 BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50364311
(CHEMBL1949763)Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C17H16FNO3S/c18-11-2-1-3-12(8-11)23(20,21)13-4-5-14-15-6-7-19-10-17(15)22-16(14)9-13/h1-5,8-9,15,17,19H,6-7,10H2/t15-,17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026 BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50065413
((R)-2-Benzenesulfonylamino-N-((S)-1-benzyl-2-oxo-e...)Show SMILES O=C[C@H](Cc1ccccc1)NC(=O)[C@@H](COCc1ccccc1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C25H26N2O5S/c28-17-22(16-20-10-4-1-5-11-20)26-25(29)24(19-32-18-21-12-6-2-7-13-21)27-33(30,31)23-14-8-3-9-15-23/h1-15,17,22,24,27H,16,18-19H2,(H,26,29)/t22-,24+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against recombinant human Calpain-I receptor |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50364316
(CHEMBL1949768)Show SMILES CC(C)Oc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C20H23NO4S/c1-13(2)24-14-4-3-5-15(10-14)26(22,23)16-6-7-17-18-8-9-21-12-20(18)25-19(17)11-16/h3-7,10-11,13,18,20-21H,8-9,12H2,1-2H3/t18-,20-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026 BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50065400
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-2-methanesulfonyl...)Show SMILES CS(=O)(=O)N[C@H](Cc1cccs1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C17H20N2O4S2/c1-25(22,23)19-16(11-15-8-5-9-24-15)17(21)18-14(12-20)10-13-6-3-2-4-7-13/h2-9,12,14,16,19H,10-11H2,1H3,(H,18,21)/t14-,16+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against cathepsin B receptor in human liver |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50364316
(CHEMBL1949768)Show SMILES CC(C)Oc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C20H23NO4S/c1-13(2)24-14-4-3-5-15(10-14)26(22,23)16-6-7-17-18-8-9-21-12-20(18)25-19(17)11-16/h3-7,10-11,13,18,20-21H,8-9,12H2,1-2H3/t18-,20-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026 BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50014577
(CHEMBL286722 | MDL-2170 | Z-Val-Phe-H | [(S)-1-((S...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O |r| Show InChI InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19-,20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against cathepsin B receptor in human liver |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(RAT) | BDBM50364326
(CHEMBL1949930)Show SMILES COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C21H25NO5S/c1-13(2)26-15-8-14(25-3)9-17(10-15)28(23,24)16-4-5-18-19-6-7-22-12-21(19)27-20(18)11-16/h4-5,8-11,13,19,21-22H,6-7,12H2,1-3H3/t19-,21-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from rat recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026 BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(RAT) | BDBM50364326
(CHEMBL1949930)Show SMILES COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C21H25NO5S/c1-13(2)26-15-8-14(25-3)9-17(10-15)28(23,24)16-4-5-18-19-6-7-22-12-21(19)27-20(18)11-16/h4-5,8-11,13,19,21-22H,6-7,12H2,1-3H3/t19-,21-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from rat recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026 BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50065414
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-2-methanesulfonyl...)Show SMILES CS(=O)(=O)N[C@H](CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C20H24N2O4S/c1-27(25,26)22-19(13-12-16-8-4-2-5-9-16)20(24)21-18(15-23)14-17-10-6-3-7-11-17/h2-11,15,18-19,22H,12-14H2,1H3,(H,21,24)/t18-,19+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against recombinant human Calpain-I receptor |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50065402
((R)-2-Methanesulfonylamino-4-methyl-pentanoic acid...)Show SMILES CC(C)C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C16H24N2O4S/c1-12(2)9-15(18-23(3,21)22)16(20)17-14(11-19)10-13-7-5-4-6-8-13/h4-8,11-12,14-15,18H,9-10H2,1-3H3,(H,17,20)/t14-,15+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against recombinant human Calpain-I receptor |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50364308
(CHEMBL1949760)Show SMILES Fc1ccccc1S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C17H16FNO3S/c18-14-3-1-2-4-17(14)23(20,21)11-5-6-12-13-7-8-19-10-16(13)22-15(12)9-11/h1-6,9,13,16,19H,7-8,10H2/t13-,16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026 BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50065407
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-met...)Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C20H24N2O5S/c1-28(25,26)22-19(15-27-14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,13,18-19,22H,12,14-15H2,1H3,(H,21,24)/t18-,19+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against cathepsin B receptor in human liver |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50065397
((R)-3-Benzyloxy-N-((S)-1-formyl-propyl)-2-methanes...)Show SMILES CC[C@H](NC(=O)[C@@H](COCc1ccccc1)NS(C)(=O)=O)C=O Show InChI InChI=1S/C15H22N2O5S/c1-3-13(9-18)16-15(19)14(17-23(2,20)21)11-22-10-12-7-5-4-6-8-12/h4-9,13-14,17H,3,10-11H2,1-2H3,(H,16,19)/t13-,14+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against recombinant human Calpain-I receptor |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50364313
(CHEMBL1949765)Show SMILES Cc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C18H19NO3S/c1-12-3-2-4-13(9-12)23(20,21)14-5-6-15-16-7-8-19-11-18(16)22-17(15)10-14/h2-6,9-10,16,18-19H,7-8,11H2,1H3/t16-,18-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026 BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50364309
(CHEMBL1949761)Show SMILES Clc1ccccc1S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C17H16ClNO3S/c18-14-3-1-2-4-17(14)23(20,21)11-5-6-12-13-7-8-19-10-16(13)22-15(12)9-11/h1-6,9,13,16,19H,7-8,10H2/t13-,16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026 BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(RAT) | BDBM50364312
(CHEMBL1949764)Show SMILES Clc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C17H16ClNO3S/c18-11-2-1-3-12(8-11)23(20,21)13-4-5-14-15-6-7-19-10-17(15)22-16(14)9-13/h1-5,8-9,15,17,19H,6-7,10H2/t15-,17-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from rat recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026 BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50065401
((S)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzylsulfanyl-...)Show SMILES CS(=O)(=O)N[C@H](CSCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C20H24N2O4S2/c1-28(25,26)22-19(15-27-14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,13,18-19,22H,12,14-15H2,1H3,(H,21,24)/t18-,19+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against cathepsin B receptor in human liver |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50408434
(CHEMBL2114233)Show SMILES CS(=O)(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C20H24N2O5S/c1-28(25,26)22-19(15-27-14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,13,18-19,22H,12,14-15H2,1H3,(H,21,24)/t18-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against recombinant human Calpain-I receptor |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this Ligand-Target Pair | |