Found 133 hits with Last Name = 'guan' and Initial = 'n' 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
(Sus scrofa (pig)) | BDBM50193489
((R)-1-(4-nitrophenylsulfonyl)-N-((R,S)-1-oxo-3-phe...)Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C20H21N3O6S/c24-14-16(13-15-5-2-1-3-6-15)21-20(25)19-7-4-12-22(19)30(28,29)18-10-8-17(9-11-18)23(26)27/h1-3,5-6,8-11,14,16,19H,4,7,12-13H2,(H,21,25)/t16?,19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of porcine erythrocyte mu calpain |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50193501
((R)-1-(4-iodophenylsulfonyl)-N-((R,S)-1-oxo-3-phen...)Show SMILES Ic1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C20H21IN2O4S/c21-16-8-10-18(11-9-16)28(26,27)23-12-4-7-19(23)20(25)22-17(14-24)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,14,17,19H,4,7,12-13H2,(H,22,25)/t17?,19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of porcine erythrocyte mu calpain |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50193494
((R)-1-(4-methoxyphenylsulfonyl)-N-((R,S)-1-oxo-3-p...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C21H24N2O5S/c1-28-18-9-11-19(12-10-18)29(26,27)23-13-5-8-20(23)21(25)22-17(15-24)14-16-6-3-2-4-7-16/h2-4,6-7,9-12,15,17,20H,5,8,13-14H2,1H3,(H,22,25)/t17?,20-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD 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 |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of porcine erythrocyte mu calpain |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50193509
((S)-3-(4-iodophenylsulfonyl)-N-((R,S)-1-oxo-3-phen...)Show SMILES Ic1ccc(cc1)S(=O)(=O)N1CSC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C19H19IN2O4S2/c20-15-6-8-17(9-7-15)28(25,26)22-13-27-12-18(22)19(24)21-16(11-23)10-14-4-2-1-3-5-14/h1-9,11,16,18H,10,12-13H2,(H,21,24)/t16?,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of porcine erythrocyte mu calpain |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50193503
((4S)-N-(1-oxo-3-phenylpropan-2-yl)-3-tosylthiazoli...)Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CSC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C20H22N2O4S2/c1-15-7-9-18(10-8-15)28(25,26)22-14-27-13-19(22)20(24)21-17(12-23)11-16-5-3-2-4-6-16/h2-10,12,17,19H,11,13-14H2,1H3,(H,21,24)/t17?,19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD 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 |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of porcine erythrocyte mu calpain |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50193502
((S)-3-(4-bromophenylsulfonyl)-N-((R,S)-1-oxo-3-phe...)Show SMILES Brc1ccc(cc1)S(=O)(=O)N1CSC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C19H19BrN2O4S2/c20-15-6-8-17(9-7-15)28(25,26)22-13-27-12-18(22)19(24)21-16(11-23)10-14-4-2-1-3-5-14/h1-9,11,16,18H,10,12-13H2,(H,21,24)/t16?,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 74 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of porcine erythrocyte mu calpain |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50193507
((2R)-N-(1-oxo-3-phenylpropan-2-yl)-1-tosylpyrrolid...)Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C21H24N2O4S/c1-16-9-11-19(12-10-16)28(26,27)23-13-5-8-20(23)21(25)22-18(15-24)14-17-6-3-2-4-7-17/h2-4,6-7,9-12,15,18,20H,5,8,13-14H2,1H3,(H,22,25)/t18?,20-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of porcine erythrocyte mu calpain |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50193490
((S)-3-(4-chlorophenylsulfonyl)-N-((R,S)-1-oxo-3-ph...)Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CSC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C19H19ClN2O4S2/c20-15-6-8-17(9-7-15)28(25,26)22-13-27-12-18(22)19(24)21-16(11-23)10-14-4-2-1-3-5-14/h1-9,11,16,18H,10,12-13H2,(H,21,24)/t16?,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of porcine erythrocyte mu calpain |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50193502
((S)-3-(4-bromophenylsulfonyl)-N-((R,S)-1-oxo-3-phe...)Show SMILES Brc1ccc(cc1)S(=O)(=O)N1CSC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C19H19BrN2O4S2/c20-15-6-8-17(9-7-15)28(25,26)22-13-27-12-18(22)19(24)21-16(11-23)10-14-4-2-1-3-5-14/h1-9,11,16,18H,10,12-13H2,(H,21,24)/t16?,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50193509
((S)-3-(4-iodophenylsulfonyl)-N-((R,S)-1-oxo-3-phen...)Show SMILES Ic1ccc(cc1)S(=O)(=O)N1CSC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C19H19IN2O4S2/c20-15-6-8-17(9-7-15)28(25,26)22-13-27-12-18(22)19(24)21-16(11-23)10-14-4-2-1-3-5-14/h1-9,11,16,18H,10,12-13H2,(H,21,24)/t16?,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50193495
((S)-3-(4-fluorophenylsulfonyl)-N-((R,S)-1-oxo-3-ph...)Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CSC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C19H19FN2O4S2/c20-15-6-8-17(9-7-15)28(25,26)22-13-27-12-18(22)19(24)21-16(11-23)10-14-4-2-1-3-5-14/h1-9,11,16,18H,10,12-13H2,(H,21,24)/t16?,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of porcine erythrocyte mu calpain |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50193503
((4S)-N-(1-oxo-3-phenylpropan-2-yl)-3-tosylthiazoli...)Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CSC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C20H22N2O4S2/c1-15-7-9-18(10-8-15)28(25,26)22-14-27-13-19(22)20(24)21-17(12-23)11-16-5-3-2-4-6-16/h2-10,12,17,19H,11,13-14H2,1H3,(H,21,24)/t17?,19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 119 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50193504
((R)-1-(4-bromophenylsulfonyl)-N-((R,S)-1-oxo-3-phe...)Show SMILES Brc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C20H21BrN2O4S/c21-16-8-10-18(11-9-16)28(26,27)23-12-4-7-19(23)20(25)22-17(14-24)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,14,17,19H,4,7,12-13H2,(H,22,25)/t17?,19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 128 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of porcine erythrocyte mu calpain |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50193497
((R)-1-(4-chlorophenylsulfonyl)-N-((R,S)-1-oxo-3-ph...)Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C20H21ClN2O4S/c21-16-8-10-18(11-9-16)28(26,27)23-12-4-7-19(23)20(25)22-17(14-24)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,14,17,19H,4,7,12-13H2,(H,22,25)/t17?,19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 141 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of porcine erythrocyte mu calpain |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50193506
((R)-1-(naphthalen-1-ylsulfonyl)-N-((R,S)-1-oxo-3-p...)Show SMILES O=CC(Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C24H24N2O4S/c27-17-20(16-18-8-2-1-3-9-18)25-24(28)22-13-7-15-26(22)31(29,30)23-14-6-11-19-10-4-5-12-21(19)23/h1-6,8-12,14,17,20,22H,7,13,15-16H2,(H,25,28)/t20?,22-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 191 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of porcine erythrocyte mu calpain |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50193493
((R)-N-((R,S)-1-oxo-3-phenylpropan-2-yl)-1-(phenyls...)Show SMILES O=CC(Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H22N2O4S/c23-15-17(14-16-8-3-1-4-9-16)21-20(24)19-12-7-13-22(19)27(25,26)18-10-5-2-6-11-18/h1-6,8-11,15,17,19H,7,12-14H2,(H,21,24)/t17?,19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 196 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of porcine erythrocyte mu calpain |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50193490
((S)-3-(4-chlorophenylsulfonyl)-N-((R,S)-1-oxo-3-ph...)Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CSC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C19H19ClN2O4S2/c20-15-6-8-17(9-7-15)28(25,26)22-13-27-12-18(22)19(24)21-16(11-23)10-14-4-2-1-3-5-14/h1-9,11,16,18H,10,12-13H2,(H,21,24)/t16?,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50193505
((R)-1-(3-nitrophenylsulfonyl)-N-((R,S)-1-oxo-3-phe...)Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C20H21N3O6S/c24-14-16(12-15-6-2-1-3-7-15)21-20(25)19-10-5-11-22(19)30(28,29)18-9-4-8-17(13-18)23(26)27/h1-4,6-9,13-14,16,19H,5,10-12H2,(H,21,25)/t16?,19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 256 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of porcine erythrocyte mu calpain |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50193500
((R)-N-(2(R,S)-3,4-dioxo-4-(phenethylamino)-1-pheny...)Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C29H30N4O7S/c34-27(29(36)30-18-17-21-8-3-1-4-9-21)25(20-22-10-5-2-6-11-22)31-28(35)26-12-7-19-32(26)41(39,40)24-15-13-23(14-16-24)33(37)38/h1-6,8-11,13-16,25-26H,7,12,17-20H2,(H,30,36)(H,31,35)/t25?,26-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of porcine erythrocyte mu calpain |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50193499
((R)-1-(butylsulfonyl)-N-((R,S)-1-oxo-3-phenylpropa...)Show SMILES CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C18H26N2O4S/c1-2-3-12-25(23,24)20-11-7-10-17(20)18(22)19-16(14-21)13-15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,2-3,7,10-13H2,1H3,(H,19,22)/t16?,17-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 313 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of porcine erythrocyte mu calpain |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50193495
((S)-3-(4-fluorophenylsulfonyl)-N-((R,S)-1-oxo-3-ph...)Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CSC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C19H19FN2O4S2/c20-15-6-8-17(9-7-15)28(25,26)22-13-27-12-18(22)19(24)21-16(11-23)10-14-4-2-1-3-5-14/h1-9,11,16,18H,10,12-13H2,(H,21,24)/t16?,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50193496
((R)-1-(4-fluorophenylsulfonyl)-N-((R,S)-1-oxo-3-ph...)Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C20H21FN2O4S/c21-16-8-10-18(11-9-16)28(26,27)23-12-4-7-19(23)20(25)22-17(14-24)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,14,17,19H,4,7,12-13H2,(H,22,25)/t17?,19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 386 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of porcine erythrocyte mu calpain |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50193508
((R)-1-(2-nitrophenylsulfonyl)-N-((R,S)-1-oxo-3-phe...)Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C20H21N3O6S/c24-14-16(13-15-7-2-1-3-8-15)21-20(25)18-10-6-12-22(18)30(28,29)19-11-5-4-9-17(19)23(26)27/h1-5,7-9,11,14,16,18H,6,10,12-13H2,(H,21,25)/t16?,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 424 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of porcine erythrocyte mu calpain |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50193492
((R)-N-(2(R,S)-3,4-dioxo-4-(phenethylamino)-1-pheny...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C30H33N3O6S/c1-39-24-14-16-25(17-15-24)40(37,38)33-20-8-13-27(33)29(35)32-26(21-23-11-6-3-7-12-23)28(34)30(36)31-19-18-22-9-4-2-5-10-22/h2-7,9-12,14-17,26-27H,8,13,18-21H2,1H3,(H,31,36)(H,32,35)/t26?,27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of porcine erythrocyte mu calpain |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50193498
((R)-1-(isopropylsulfonyl)-N-((R,S)-1-oxo-3-phenylp...)Show SMILES CC(C)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C17H24N2O4S/c1-13(2)24(22,23)19-10-6-9-16(19)17(21)18-15(12-20)11-14-7-4-3-5-8-14/h3-5,7-8,12-13,15-16H,6,9-11H2,1-2H3,(H,18,21)/t15?,16-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 836 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of porcine erythrocyte mu calpain |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50193491
((R)-N-(2(R,S)-3,4-dioxo-4-(phenethylamino)-1-pheny...)Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C30H33N3O5S/c1-22-14-16-25(17-15-22)39(37,38)33-20-8-13-27(33)29(35)32-26(21-24-11-6-3-7-12-24)28(34)30(36)31-19-18-23-9-4-2-5-10-23/h2-7,9-12,14-17,26-27H,8,13,18-21H2,1H3,(H,31,36)(H,32,35)/t26?,27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of porcine erythrocyte mu calpain |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50193499
((R)-1-(butylsulfonyl)-N-((R,S)-1-oxo-3-phenylpropa...)Show SMILES CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C18H26N2O4S/c1-2-3-12-25(23,24)20-11-7-10-17(20)18(22)19-16(14-21)13-15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,2-3,7,10-13H2,1H3,(H,19,22)/t16?,17-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50193494
((R)-1-(4-methoxyphenylsulfonyl)-N-((R,S)-1-oxo-3-p...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C21H24N2O5S/c1-28-18-9-11-19(12-10-18)29(26,27)23-13-5-8-20(23)21(25)22-17(15-24)14-16-6-3-2-4-7-16/h2-4,6-7,9-12,15,17,20H,5,8,13-14H2,1H3,(H,22,25)/t17?,20-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Sortase family protein
(Staphylococcus aureus) | BDBM50590366
(CHEMBL5174805)Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)cc1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| 2.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00316j BindingDB Entry DOI: 10.7270/Q23200VF |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50193493
((R)-N-((R,S)-1-oxo-3-phenylpropan-2-yl)-1-(phenyls...)Show SMILES O=CC(Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H22N2O4S/c23-15-17(14-16-8-3-1-4-9-16)21-20(24)19-12-7-13-22(19)27(25,26)18-10-5-2-6-11-18/h1-6,8-11,15,17,19H,7,12-14H2,(H,21,24)/t17?,19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50193506
((R)-1-(naphthalen-1-ylsulfonyl)-N-((R,S)-1-oxo-3-p...)Show SMILES O=CC(Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C24H24N2O4S/c27-17-20(16-18-8-2-1-3-9-18)25-24(28)22-13-7-15-26(22)31(29,30)23-14-6-11-19-10-4-5-12-21(19)23/h1-6,8-12,14,17,20,22H,7,13,15-16H2,(H,25,28)/t20?,22-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50193492
((R)-N-(2(R,S)-3,4-dioxo-4-(phenethylamino)-1-pheny...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C30H33N3O6S/c1-39-24-14-16-25(17-15-24)40(37,38)33-20-8-13-27(33)29(35)32-26(21-23-11-6-3-7-12-23)28(34)30(36)31-19-18-22-9-4-2-5-10-22/h2-7,9-12,14-17,26-27H,8,13,18-21H2,1H3,(H,31,36)(H,32,35)/t26?,27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50193498
((R)-1-(isopropylsulfonyl)-N-((R,S)-1-oxo-3-phenylp...)Show SMILES CC(C)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C17H24N2O4S/c1-13(2)24(22,23)19-10-6-9-16(19)17(21)18-15(12-20)11-14-7-4-3-5-8-14/h3-5,7-8,12-13,15-16H,6,9-11H2,1-2H3,(H,18,21)/t15?,16-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50193489
((R)-1-(4-nitrophenylsulfonyl)-N-((R,S)-1-oxo-3-phe...)Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C20H21N3O6S/c24-14-16(13-15-5-2-1-3-6-15)21-20(25)19-7-4-12-22(19)30(28,29)18-10-8-17(9-11-18)23(26)27/h1-3,5-6,8-11,14,16,19H,4,7,12-13H2,(H,21,25)/t16?,19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50193501
((R)-1-(4-iodophenylsulfonyl)-N-((R,S)-1-oxo-3-phen...)Show SMILES Ic1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C20H21IN2O4S/c21-16-8-10-18(11-9-16)28(26,27)23-12-4-7-19(23)20(25)22-17(14-24)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,14,17,19H,4,7,12-13H2,(H,22,25)/t17?,19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50193504
((R)-1-(4-bromophenylsulfonyl)-N-((R,S)-1-oxo-3-phe...)Show SMILES Brc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C20H21BrN2O4S/c21-16-8-10-18(11-9-16)28(26,27)23-12-4-7-19(23)20(25)22-17(14-24)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,14,17,19H,4,7,12-13H2,(H,22,25)/t17?,19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50193508
((R)-1-(2-nitrophenylsulfonyl)-N-((R,S)-1-oxo-3-phe...)Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C20H21N3O6S/c24-14-16(13-15-7-2-1-3-8-15)21-20(25)18-10-6-12-22(18)30(28,29)19-11-5-4-9-17(19)23(26)27/h1-5,7-9,11,14,16,18H,6,10,12-13H2,(H,21,25)/t16?,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50193497
((R)-1-(4-chlorophenylsulfonyl)-N-((R,S)-1-oxo-3-ph...)Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C20H21ClN2O4S/c21-16-8-10-18(11-9-16)28(26,27)23-12-4-7-19(23)20(25)22-17(14-24)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,14,17,19H,4,7,12-13H2,(H,22,25)/t17?,19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50193505
((R)-1-(3-nitrophenylsulfonyl)-N-((R,S)-1-oxo-3-phe...)Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C20H21N3O6S/c24-14-16(12-15-6-2-1-3-7-15)21-20(25)19-10-5-11-22(19)30(28,29)18-9-4-8-17(13-18)23(26)27/h1-4,6-9,13-14,16,19H,5,10-12H2,(H,21,25)/t16?,19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50193491
((R)-N-(2(R,S)-3,4-dioxo-4-(phenethylamino)-1-pheny...)Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C30H33N3O5S/c1-22-14-16-25(17-15-22)39(37,38)33-20-8-13-27(33)29(35)32-26(21-24-11-6-3-7-12-24)28(34)30(36)31-19-18-23-9-4-2-5-10-23/h2-7,9-12,14-17,26-27H,8,13,18-21H2,1H3,(H,31,36)(H,32,35)/t26?,27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50193496
((R)-1-(4-fluorophenylsulfonyl)-N-((R,S)-1-oxo-3-ph...)Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C20H21FN2O4S/c21-16-8-10-18(11-9-16)28(26,27)23-12-4-7-19(23)20(25)22-17(14-24)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,14,17,19H,4,7,12-13H2,(H,22,25)/t17?,19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50193507
((2R)-N-(1-oxo-3-phenylpropan-2-yl)-1-tosylpyrrolid...)Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C21H24N2O4S/c1-16-9-11-19(12-10-16)28(26,27)23-13-5-8-20(23)21(25)22-18(15-24)14-17-6-3-2-4-7-17/h2-4,6-7,9-12,15,18,20H,5,8,13-14H2,1H3,(H,22,25)/t18?,20-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50193500
((R)-N-(2(R,S)-3,4-dioxo-4-(phenethylamino)-1-pheny...)Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C29H30N4O7S/c34-27(29(36)30-18-17-21-8-3-1-4-9-21)25(20-22-10-5-2-6-11-22)31-28(35)26-12-7-19-32(26)41(39,40)24-15-13-23(14-16-24)33(37)38/h1-6,8-11,13-16,25-26H,7,12,17-20H2,(H,30,36)(H,31,35)/t25?,26-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
J Med Chem 49: 5282-90 (2006)
Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 |
More data for this Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50157741
(CHEMBL374508 | E-64 | E64)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r| Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00316j BindingDB Entry DOI: 10.7270/Q23200VF |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50157741
(CHEMBL374508 | E-64 | E64)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r| Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00316j BindingDB Entry DOI: 10.7270/Q23200VF |
More data for this Ligand-Target Pair | |
Sortase family protein
(Staphylococcus aureus) | BDBM50590366
(CHEMBL5174805)Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)cc1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00316j BindingDB Entry DOI: 10.7270/Q23200VF |
More data for this Ligand-Target Pair | |
Sortase family protein
(Staphylococcus aureus) | BDBM50590366
(CHEMBL5174805)Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)cc1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00316j BindingDB Entry DOI: 10.7270/Q23200VF |
More data for this Ligand-Target Pair | |
Sortase family protein
(Staphylococcus aureus) | BDBM50590366
(CHEMBL5174805)Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)cc1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00316j BindingDB Entry DOI: 10.7270/Q23200VF |
More data for this Ligand-Target Pair | |
Sortase family protein
(Staphylococcus aureus) | BDBM50590366
(CHEMBL5174805)Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)cc1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00316j BindingDB Entry DOI: 10.7270/Q23200VF |
More data for this Ligand-Target Pair | |
Sortase family protein
(Staphylococcus aureus) | BDBM50542873
(CHEMBL4646366)Show InChI InChI=1S/C20H16N2O2S/c23-19-21(14-13-15-7-2-1-3-8-15)20(24)25-22(19)18-12-6-10-16-9-4-5-11-17(16)18/h1-12H,13-14H2 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Guizhou University
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus SrtA delta N24 mutant expressed in Escherichia coli BL21 (DE3) using Abz-LPATG-Dnp substrate incubated for 20 min... |
J Med Chem 63: 8442-8457 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00803 BindingDB Entry DOI: 10.7270/Q2Z03CQD |
More data for this Ligand-Target Pair | |