Found 201 hits with Last Name = 'senadhi' and Initial = 's' 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 | |
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 | |
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 | |
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 | |
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)) | 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)) | 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)) | 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-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)) | 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 | |
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)) | 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)) | 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 | |
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 | |
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 | |
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 | |
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 | |
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 | |
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 | |
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 | |
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 | |
Cathepsin B
(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
| 44 | 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 | |
Cathepsin B
(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
| 45 | 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 | |
Cathepsin B
(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
| 45 | 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)) | BDBM50065406
((R)-3-Benzyloxy-N-((S)-1-formyl-3-methyl-butyl)-2-...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](COCc1ccccc1)NS(C)(=O)=O)C=O Show InChI InChI=1S/C17H26N2O5S/c1-13(2)9-15(10-20)18-17(21)16(19-25(3,22)23)12-24-11-14-7-5-4-6-8-14/h4-8,10,13,15-16,19H,9,11-12H2,1-3H3,(H,18,21)/t15-,16+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 66 | 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 | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50245983
((2R,3S,4S)-2-Ethyl-3-methyl-N-[3,5-(chloro)phenyl]...)Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C25H25Cl2N3O/c1-3-22-16(2)24(28-19-9-5-4-6-10-19)21-11-7-8-12-23(21)30(22)25(31)29-20-14-17(26)13-18(27)15-20/h4-16,22,24,28H,3H2,1-2H3,(H,29,31)/t16-,22-,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells |
Bioorg Med Chem Lett 18: 6222-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50245937
((2R,3S,4S)-N-(3-bromophenyl)-2-ethyl-3-methyl-4-(p...)Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cccc(Br)c1 |r| Show InChI InChI=1S/C25H26BrN3O/c1-3-22-17(2)24(27-19-11-5-4-6-12-19)21-14-7-8-15-23(21)29(22)25(30)28-20-13-9-10-18(26)16-20/h4-17,22,24,27H,3H2,1-2H3,(H,28,30)/t17-,22-,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells |
Bioorg Med Chem Lett 18: 6222-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50246518
(((2R,3S,4S)-2-ethyl-3-methyl-4-(phenylamino)-3,4-d...)Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C26H25F3N2O2/c1-3-22-17(2)24(30-19-9-5-4-6-10-19)21-11-7-8-12-23(21)31(22)25(32)18-13-15-20(16-14-18)33-26(27,28)29/h4-17,22,24,30H,3H2,1-2H3/t17-,22-,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells |
Bioorg Med Chem Lett 18: 6222-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50245772
((4-bromophenyl)((2R,3S,4S)-2-ethyl-3-methyl-4-(phe...)Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C25H25BrN2O/c1-3-22-17(2)24(27-20-9-5-4-6-10-20)21-11-7-8-12-23(21)28(22)25(29)18-13-15-19(26)16-14-18/h4-17,22,24,27H,3H2,1-2H3/t17-,22-,24+/m1/s1 | PDB
UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells |
Bioorg Med Chem Lett 18: 6222-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42 |
More data for this Ligand-Target Pair | |
Cathepsin B
(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
| 120 | 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)) | BDBM50065409
((S)-3-((R)-3-Benzyloxy-2-methanesulfonylamino-prop...)Show SMILES CCNC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](COCc1ccccc1)NS(C)(=O)=O Show InChI InChI=1S/C23H29N3O6S/c1-3-24-23(29)21(27)19(14-17-10-6-4-7-11-17)25-22(28)20(26-33(2,30)31)16-32-15-18-12-8-5-9-13-18/h4-13,19-20,26H,3,14-16H2,1-2H3,(H,24,29)(H,25,28)/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
| 130 | 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 | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50321586
(1-(2-(2-isopropylphenyl)benzofuran-7-yl)-3-(4-pent...)Show SMILES CCCCCc1ccc(NC(=O)Nc2cccc3cc(oc23)-c2ccccc2C(C)C)cc1 Show InChI InChI=1S/C29H32N2O2/c1-4-5-6-10-21-15-17-23(18-16-21)30-29(32)31-26-14-9-11-22-19-27(33-28(22)26)25-13-8-7-12-24(25)20(2)3/h7-9,11-20H,4-6,10H2,1-3H3,(H2,30,31,32) | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [33P]2-MeS-ADP from human P2Y1 receptor expressed in human U2OS cells by scintillation counting |
Bioorg Med Chem Lett 20: 4104-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.072 BindingDB Entry DOI: 10.7270/Q2HX1DNF |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50245982
((2R,3S,4S)-N-(3,5-dimethoxyphenyl)-2-ethyl-3-methy...)Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cc(OC)cc(OC)c1 |r| Show InChI InChI=1S/C27H31N3O3/c1-5-24-18(2)26(28-19-11-7-6-8-12-19)23-13-9-10-14-25(23)30(24)27(31)29-20-15-21(32-3)17-22(16-20)33-4/h6-18,24,26,28H,5H2,1-4H3,(H,29,31)/t18-,24-,26+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells |
Bioorg Med Chem Lett 18: 6222-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50245835
((2R,3S,4S)-N-(3-chlorophenyl)-2-ethyl-3-methyl-4-(...)Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cccc(Cl)c1 |r| Show InChI InChI=1S/C25H26ClN3O/c1-3-22-17(2)24(27-19-11-5-4-6-12-19)21-14-7-8-15-23(21)29(22)25(30)28-20-13-9-10-18(26)16-20/h4-17,22,24,27H,3H2,1-2H3,(H,28,30)/t17-,22-,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells |
Bioorg Med Chem Lett 18: 6222-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50245934
((2R,3S,4S)-N-(4-chlorophenyl)-2-ethyl-3-methyl-4-(...)Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H26ClN3O/c1-3-22-17(2)24(27-19-9-5-4-6-10-19)21-11-7-8-12-23(21)29(22)25(30)28-20-15-13-18(26)14-16-20/h4-17,22,24,27H,3H2,1-2H3,(H,28,30)/t17-,22-,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells |
Bioorg Med Chem Lett 18: 6222-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50065410
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-(me...)Show SMILES CN([C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O)S(C)(=O)=O Show InChI InChI=1S/C21H26N2O5S/c1-23(29(2,26)27)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/h3-12,14,19-20H,13,15-16H2,1-2H3,(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
| 370 | 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 | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50246517
((4-chlorophenyl)((2R,3S,4S)-2-ethyl-3-methyl-4-(ph...)Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H25ClN2O/c1-3-22-17(2)24(27-20-9-5-4-6-10-20)21-11-7-8-12-23(21)28(22)25(29)18-13-15-19(26)16-14-18/h4-17,22,24,27H,3H2,1-2H3/t17-,22-,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells |
Bioorg Med Chem Lett 18: 6222-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50246516
(((2R,3S,4S)-2-ethyl-3-methyl-4-(phenylamino)-3,4-d...)Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C26H28N2O2/c1-4-23-18(2)25(27-20-10-6-5-7-11-20)22-12-8-9-13-24(22)28(23)26(29)19-14-16-21(30-3)17-15-19/h5-18,23,25,27H,4H2,1-3H3/t18-,23-,25+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells |
Bioorg Med Chem Lett 18: 6222-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50245981
((2R,3S,4S)-2-ethyl-3-methyl-N-phenyl-4-(phenylamin...)Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C25H27N3O/c1-3-22-18(2)24(26-19-12-6-4-7-13-19)21-16-10-11-17-23(21)28(22)25(29)27-20-14-8-5-9-15-20/h4-18,22,24,26H,3H2,1-2H3,(H,27,29)/t18-,22-,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells |
Bioorg Med Chem Lett 18: 6222-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50321585
(1-(2-(2-tert-butylphenyl)benzofuran-7-yl)-3-(4-(tr...)Show SMILES CC(C)(C)c1ccccc1-c1cc2cccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)c2o1 Show InChI InChI=1S/C26H23F3N2O3/c1-25(2,3)20-9-5-4-8-19(20)22-15-16-7-6-10-21(23(16)33-22)31-24(32)30-17-11-13-18(14-12-17)34-26(27,28)29/h4-15H,1-3H3,(H2,30,31,32) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [33P]2-MeS-ADP from human P2Y1 receptor expressed in human U2OS cells by scintillation counting |
Bioorg Med Chem Lett 20: 4104-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.072 BindingDB Entry DOI: 10.7270/Q2HX1DNF |
More data for this Ligand-Target Pair | |