Found 57 hits with Last Name = 'glass' and Initial = 'jd' 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)) | BDBM50326300
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...)Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)nc(OC)nc12 |r| Show InChI InChI=1S/C28H38N8O6/c1-5-19(32-25(38)20(14-17(2)3)33-28(40)42-15-18-10-7-6-8-11-18)22(37)26(39)30-12-9-13-36-16-31-21-23(29)34-27(41-4)35-24(21)36/h6-8,10-11,16-17,19-20H,5,9,12-15H2,1-4H3,(H,30,39)(H,32,38)(H,33,40)(H2,29,34,35)/t19?,20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD 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 |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of porcine erythrocyte calpain 1 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50084684
(CHEMBL333627 | {3-Methyl-1-[1-(3-morpholin-4-yl-pr...)Show SMILES CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C26H40N4O6/c1-4-21(23(31)25(33)27-11-8-12-30-13-15-35-16-14-30)28-24(32)22(17-19(2)3)29-26(34)36-18-20-9-6-5-7-10-20/h5-7,9-10,19,21-22H,4,8,11-18H2,1-3H3,(H,27,33)(H,28,32)(H,29,34)/t21-,22-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE 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 |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of porcine kidney calpain 2 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50326298
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...)Show SMILES COc1nc(N)c2ncn(CCCNC(=O)C(=O)C(Cc3ccccc3)NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3)c2n1 |r| Show InChI InChI=1S/C33H40N8O6/c1-21(2)17-25(38-33(45)47-19-23-13-8-5-9-14-23)30(43)37-24(18-22-11-6-4-7-12-22)27(42)31(44)35-15-10-16-41-20-36-26-28(34)39-32(46-3)40-29(26)41/h4-9,11-14,20-21,24-25H,10,15-19H2,1-3H3,(H,35,44)(H,37,43)(H,38,45)(H2,34,39,40)/t24?,25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD 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 |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of porcine erythrocyte calpain 1 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50326303
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...)Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C27H36N8O5/c1-4-19(22(36)26(38)29-11-8-12-35-16-32-21-23(28)30-15-31-24(21)35)33-25(37)20(13-17(2)3)34-27(39)40-14-18-9-6-5-7-10-18/h5-7,9-10,15-17,19-20H,4,8,11-14H2,1-3H3,(H,29,38)(H,33,37)(H,34,39)(H2,28,30,31)/t19?,20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of porcine erythrocyte calpain 1 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50326304
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C32H38N8O5/c1-21(2)16-25(39-32(44)45-18-23-12-7-4-8-13-23)30(42)38-24(17-22-10-5-3-6-11-22)27(41)31(43)34-14-9-15-40-20-37-26-28(33)35-19-36-29(26)40/h3-8,10-13,19-21,24-25H,9,14-18H2,1-2H3,(H,34,43)(H,38,42)(H,39,44)(H2,33,35,36)/t24?,25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of porcine erythrocyte calpain 1 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50326304
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C32H38N8O5/c1-21(2)16-25(39-32(44)45-18-23-12-7-4-8-13-23)30(42)38-24(17-22-10-5-3-6-11-22)27(41)31(43)34-14-9-15-40-20-37-26-28(33)35-19-36-29(26)40/h3-8,10-13,19-21,24-25H,9,14-18H2,1-2H3,(H,34,43)(H,38,42)(H,39,44)(H2,33,35,36)/t24?,25-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of porcine kidney calpain 2 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50326303
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...)Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C27H36N8O5/c1-4-19(22(36)26(38)29-11-8-12-35-16-32-21-23(28)30-15-31-24(21)35)33-25(37)20(13-17(2)3)34-27(39)40-14-18-9-6-5-7-10-18/h5-7,9-10,15-17,19-20H,4,8,11-14H2,1-3H3,(H,29,38)(H,33,37)(H,34,39)(H2,28,30,31)/t19?,20-/m0/s1 | PDB MMDB
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 |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of porcine kidney calpain 2 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50326300
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...)Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)nc(OC)nc12 |r| Show InChI InChI=1S/C28H38N8O6/c1-5-19(32-25(38)20(14-17(2)3)33-28(40)42-15-18-10-7-6-8-11-18)22(37)26(39)30-12-9-13-36-16-31-21-23(29)34-27(41-4)35-24(21)36/h6-8,10-11,16-17,19-20H,5,9,12-15H2,1-4H3,(H,30,39)(H,32,38)(H,33,40)(H2,29,34,35)/t19?,20-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of porcine kidney calpain 2 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50084684
(CHEMBL333627 | {3-Methyl-1-[1-(3-morpholin-4-yl-pr...)Show SMILES CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C26H40N4O6/c1-4-21(23(31)25(33)27-11-8-12-30-13-15-35-16-14-30)28-24(32)22(17-19(2)3)29-26(34)36-18-20-9-6-5-7-10-20/h5-7,9-10,19,21-22H,4,8,11-18H2,1-3H3,(H,27,33)(H,28,32)(H,29,34)/t21-,22-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of porcine erythrocyte calpain 1 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50326299
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...)Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O |r| Show InChI InChI=1S/C26H36N6O6/c1-4-19(22(33)24(35)28-12-8-13-32-14-11-21(27)31-25(32)36)29-23(34)20(15-17(2)3)30-26(37)38-16-18-9-6-5-7-10-18/h5-7,9-11,14,17,19-20H,4,8,12-13,15-16H2,1-3H3,(H,28,35)(H,29,34)(H,30,37)(H2,27,31,36)/t19?,20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 165 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of porcine erythrocyte calpain 1 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50326298
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...)Show SMILES COc1nc(N)c2ncn(CCCNC(=O)C(=O)C(Cc3ccccc3)NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3)c2n1 |r| Show InChI InChI=1S/C33H40N8O6/c1-21(2)17-25(38-33(45)47-19-23-13-8-5-9-14-23)30(43)37-24(18-22-11-6-4-7-12-22)27(42)31(44)35-15-10-16-41-20-36-26-28(34)39-32(46-3)40-29(26)41/h4-9,11-14,20-21,24-25H,10,15-19H2,1-3H3,(H,35,44)(H,37,43)(H,38,45)(H2,34,39,40)/t24?,25-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 209 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of porcine kidney calpain 2 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50326306
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(dimethyl...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN(C)C |r| Show InChI InChI=1S/C29H40N4O5/c1-21(2)18-25(32-29(37)38-20-23-14-9-6-10-15-23)27(35)31-24(19-22-12-7-5-8-13-22)26(34)28(36)30-16-11-17-33(3)4/h5-10,12-15,21,24-25H,11,16-20H2,1-4H3,(H,30,36)(H,31,35)(H,32,37)/t24?,25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 226 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of porcine erythrocyte calpain 1 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50326302
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-methyl...)Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCN(C)CC1 |r| Show InChI InChI=1S/C27H43N5O5/c1-5-22(24(33)26(35)28-12-9-13-32-16-14-31(4)15-17-32)29-25(34)23(18-20(2)3)30-27(36)37-19-21-10-7-6-8-11-21/h6-8,10-11,20,22-23H,5,9,12-19H2,1-4H3,(H,28,35)(H,29,34)(H,30,36)/t22?,23-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 286 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of porcine kidney calpain 2 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50326301
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O |r| Show InChI InChI=1S/C31H38N6O6/c1-21(2)18-25(35-31(42)43-20-23-12-7-4-8-13-23)28(39)34-24(19-22-10-5-3-6-11-22)27(38)29(40)33-15-9-16-37-17-14-26(32)36-30(37)41/h3-8,10-14,17,21,24-25H,9,15-16,18-20H2,1-2H3,(H,33,40)(H,34,39)(H,35,42)(H2,32,36,41)/t24?,25-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 438 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of porcine kidney calpain 2 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50326301
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O |r| Show InChI InChI=1S/C31H38N6O6/c1-21(2)18-25(35-31(42)43-20-23-12-7-4-8-13-23)28(39)34-24(19-22-10-5-3-6-11-22)27(38)29(40)33-15-9-16-37-17-14-26(32)36-30(37)41/h3-8,10-14,17,21,24-25H,9,15-16,18-20H2,1-2H3,(H,33,40)(H,34,39)(H,35,42)(H2,32,36,41)/t24?,25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50326301
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O |r| Show InChI InChI=1S/C31H38N6O6/c1-21(2)18-25(35-31(42)43-20-23-12-7-4-8-13-23)28(39)34-24(19-22-10-5-3-6-11-22)27(38)29(40)33-15-9-16-37-17-14-26(32)36-30(37)41/h3-8,10-14,17,21,24-25H,9,15-16,18-20H2,1-2H3,(H,33,40)(H,34,39)(H,35,42)(H2,32,36,41)/t24?,25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of porcine erythrocyte calpain 1 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50326302
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-methyl...)Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCN(C)CC1 |r| Show InChI InChI=1S/C27H43N5O5/c1-5-22(24(33)26(35)28-12-9-13-32-16-14-31(4)15-17-32)29-25(34)23(18-20(2)3)30-27(36)37-19-21-10-7-6-8-11-21/h6-8,10-11,20,22-23H,5,9,12-19H2,1-4H3,(H,28,35)(H,29,34)(H,30,36)/t22?,23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of porcine erythrocyte calpain 1 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50326305
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(2-(dimethyl...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCN(C)C |r| Show InChI InChI=1S/C28H38N4O5/c1-20(2)17-24(31-28(36)37-19-22-13-9-6-10-14-22)26(34)30-23(18-21-11-7-5-8-12-21)25(33)27(35)29-15-16-32(3)4/h5-14,20,23-24H,15-19H2,1-4H3,(H,29,35)(H,30,34)(H,31,36)/t23?,24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 711 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of porcine erythrocyte calpain 1 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50326299
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...)Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O |r| Show InChI InChI=1S/C26H36N6O6/c1-4-19(22(33)24(35)28-12-8-13-32-14-11-21(27)31-25(32)36)29-23(34)20(15-17(2)3)30-26(37)38-16-18-9-6-5-7-10-18/h5-7,9-11,14,17,19-20H,4,8,12-13,15-16H2,1-3H3,(H,28,35)(H,29,34)(H,30,37)(H2,27,31,36)/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
| 750 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50326303
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...)Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C27H36N8O5/c1-4-19(22(36)26(38)29-11-8-12-35-16-32-21-23(28)30-15-31-24(21)35)33-25(37)20(13-17(2)3)34-27(39)40-14-18-9-6-5-7-10-18/h5-7,9-10,15-17,19-20H,4,8,11-14H2,1-3H3,(H,29,38)(H,33,37)(H,34,39)(H2,28,30,31)/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
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50326306
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(dimethyl...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN(C)C |r| Show InChI InChI=1S/C29H40N4O5/c1-21(2)18-25(32-29(37)38-20-23-14-9-6-10-15-23)27(35)31-24(19-22-12-7-5-8-13-22)26(34)28(36)30-16-11-17-33(3)4/h5-10,12-15,21,24-25H,11,16-20H2,1-4H3,(H,30,36)(H,31,35)(H,32,37)/t24?,25-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 844 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of porcine kidney calpain 2 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50326300
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...)Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)nc(OC)nc12 |r| Show InChI InChI=1S/C28H38N8O6/c1-5-19(32-25(38)20(14-17(2)3)33-28(40)42-15-18-10-7-6-8-11-18)22(37)26(39)30-12-9-13-36-16-31-21-23(29)34-27(41-4)35-24(21)36/h6-8,10-11,16-17,19-20H,5,9,12-15H2,1-4H3,(H,30,39)(H,32,38)(H,33,40)(H2,29,34,35)/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
| 880 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50326299
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...)Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O |r| Show InChI InChI=1S/C26H36N6O6/c1-4-19(22(33)24(35)28-12-8-13-32-14-11-21(27)31-25(32)36)29-23(34)20(15-17(2)3)30-26(37)38-16-18-9-6-5-7-10-18/h5-7,9-11,14,17,19-20H,4,8,12-13,15-16H2,1-3H3,(H,28,35)(H,29,34)(H,30,37)(H2,27,31,36)/t19?,20-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of porcine kidney calpain 2 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50326307
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-methyl...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCN(C)CC1 |r| Show InChI InChI=1S/C32H45N5O5/c1-24(2)21-28(35-32(41)42-23-26-13-8-5-9-14-26)30(39)34-27(22-25-11-6-4-7-12-25)29(38)31(40)33-15-10-16-37-19-17-36(3)18-20-37/h4-9,11-14,24,27-28H,10,15-23H2,1-3H3,(H,33,40)(H,34,39)(H,35,41)/t27?,28-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of porcine erythrocyte calpain 1 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50326302
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-methyl...)Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCN(C)CC1 |r| Show InChI InChI=1S/C27H43N5O5/c1-5-22(24(33)26(35)28-12-9-13-32-16-14-31(4)15-17-32)29-25(34)23(18-20(2)3)30-27(36)37-19-21-10-7-6-8-11-21/h6-8,10-11,20,22-23H,5,9,12-19H2,1-4H3,(H,28,35)(H,29,34)(H,30,36)/t22?,23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50326304
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C32H38N8O5/c1-21(2)16-25(39-32(44)45-18-23-12-7-4-8-13-23)30(42)38-24(17-22-10-5-3-6-11-22)27(41)31(43)34-14-9-15-40-20-37-26-28(33)35-19-36-29(26)40/h3-8,10-13,19-21,24-25H,9,14-18H2,1-2H3,(H,34,43)(H,38,42)(H,39,44)(H2,33,35,36)/t24?,25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50326298
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...)Show SMILES COc1nc(N)c2ncn(CCCNC(=O)C(=O)C(Cc3ccccc3)NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3)c2n1 |r| Show InChI InChI=1S/C33H40N8O6/c1-21(2)17-25(38-33(45)47-19-23-13-8-5-9-14-23)30(43)37-24(18-22-11-6-4-7-12-22)27(42)31(44)35-15-10-16-41-20-36-26-28(34)39-32(46-3)40-29(26)41/h4-9,11-14,20-21,24-25H,10,15-19H2,1-3H3,(H,35,44)(H,37,43)(H,38,45)(H2,34,39,40)/t24?,25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50326305
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(2-(dimethyl...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCN(C)C |r| Show InChI InChI=1S/C28H38N4O5/c1-20(2)17-24(31-28(36)37-19-22-13-9-6-10-14-22)26(34)30-23(18-21-11-7-5-8-12-21)25(33)27(35)29-15-16-32(3)4/h5-14,20,23-24H,15-19H2,1-4H3,(H,29,35)(H,30,34)(H,31,36)/t23?,24-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of porcine kidney calpain 2 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50326307
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-methyl...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCN(C)CC1 |r| Show InChI InChI=1S/C32H45N5O5/c1-24(2)21-28(35-32(41)42-23-26-13-8-5-9-14-26)30(39)34-27(22-25-11-6-4-7-12-25)29(38)31(40)33-15-10-16-37-19-17-36(3)18-20-37/h4-9,11-14,24,27-28H,10,15-23H2,1-3H3,(H,33,40)(H,34,39)(H,35,41)/t27?,28-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of porcine kidney calpain 2 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50084684
(CHEMBL333627 | {3-Methyl-1-[1-(3-morpholin-4-yl-pr...)Show SMILES CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C26H40N4O6/c1-4-21(23(31)25(33)27-11-8-12-30-13-15-35-16-14-30)28-24(32)22(17-19(2)3)29-26(34)36-18-20-9-6-5-7-10-20/h5-7,9-10,19,21-22H,4,8,11-18H2,1-3H3,(H,27,33)(H,28,32)(H,29,34)/t21-,22-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE 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 |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50326306
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(dimethyl...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN(C)C |r| Show InChI InChI=1S/C29H40N4O5/c1-21(2)18-25(32-29(37)38-20-23-14-9-6-10-15-23)27(35)31-24(19-22-12-7-5-8-13-22)26(34)28(36)30-16-11-17-33(3)4/h5-10,12-15,21,24-25H,11,16-20H2,1-4H3,(H,30,36)(H,31,35)(H,32,37)/t24?,25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50326307
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-methyl...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCN(C)CC1 |r| Show InChI InChI=1S/C32H45N5O5/c1-24(2)21-28(35-32(41)42-23-26-13-8-5-9-14-26)30(39)34-27(22-25-11-6-4-7-12-25)29(38)31(40)33-15-10-16-37-19-17-36(3)18-20-37/h4-9,11-14,24,27-28H,10,15-23H2,1-3H3,(H,33,40)(H,34,39)(H,35,41)/t27?,28-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.11E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50326305
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(2-(dimethyl...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCN(C)C |r| Show InChI InChI=1S/C28H38N4O5/c1-20(2)17-24(31-28(36)37-19-22-13-9-6-10-14-22)26(34)30-23(18-21-11-7-5-8-12-21)25(33)27(35)29-15-16-32(3)4/h5-14,20,23-24H,15-19H2,1-4H3,(H,29,35)(H,30,34)(H,31,36)/t23?,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
| 4.75E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50058239
((S)-3-{[4-Oxo-5-(2-piperidin-4-yl-ethyl)-5,6,7,8-t...)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCCn2n1)C(O)=O Show InChI InChI=1S/C25H34N6O6S/c1-17-3-5-19(6-4-17)38(36,37)29-21(25(34)35)16-27-23(32)20-15-22-24(33)30(12-2-13-31(22)28-20)14-9-18-7-10-26-11-8-18/h3-6,15,18,21,26,29H,2,7-14,16H2,1H3,(H,27,32)(H,34,35)/t21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human umbilical vein endothelial cells (HUVEC) attachment to fibrinogen (FG) |
J Med Chem 40: 1779-88 (1997)
Article DOI: 10.1021/jm9608117 BindingDB Entry DOI: 10.7270/Q2222VDD |
More data for this Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50058239
((S)-3-{[4-Oxo-5-(2-piperidin-4-yl-ethyl)-5,6,7,8-t...)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCCn2n1)C(O)=O Show InChI InChI=1S/C25H34N6O6S/c1-17-3-5-19(6-4-17)38(36,37)29-21(25(34)35)16-27-23(32)20-15-22-24(33)30(12-2-13-31(22)28-20)14-9-18-7-10-26-11-8-18/h3-6,15,18,21,26,29H,2,7-14,16H2,1H3,(H,27,32)(H,34,35)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human umbilical vein endothelial cells (HUVEC) attachment to fibronectin |
J Med Chem 40: 1779-88 (1997)
Article DOI: 10.1021/jm9608117 BindingDB Entry DOI: 10.7270/Q2222VDD |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50058239
((S)-3-{[4-Oxo-5-(2-piperidin-4-yl-ethyl)-5,6,7,8-t...)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCCn2n1)C(O)=O Show InChI InChI=1S/C25H34N6O6S/c1-17-3-5-19(6-4-17)38(36,37)29-21(25(34)35)16-27-23(32)20-15-22-24(33)30(12-2-13-31(22)28-20)14-9-18-7-10-26-11-8-18/h3-6,15,18,21,26,29H,2,7-14,16H2,1H3,(H,27,32)(H,34,35)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human umbilical vein endothelial cells (HUVEC) attachment to vitronectin (VN) |
J Med Chem 40: 1779-88 (1997)
Article DOI: 10.1021/jm9608117 BindingDB Entry DOI: 10.7270/Q2222VDD |
More data for this Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50076052
((S)-3-[4-(5-Amino-pentyloxy)-benzoylamino]-2-benze...)Show SMILES NCCCCCOc1ccc(cc1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C21H27N3O6S/c22-13-5-2-6-14-30-17-11-9-16(10-12-17)20(25)23-15-19(21(26)27)24-31(28,29)18-7-3-1-4-8-18/h1,3-4,7-12,19,24H,2,5-6,13-15,22H2,(H,23,25)(H,26,27)/t19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of glycoprotein IIb/III integrin mediated fibrinogen binding to activated platelets |
Bioorg Med Chem Lett 9: 863-8 (1999)
BindingDB Entry DOI: 10.7270/Q2SJ1JSK |
More data for this Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50076058
((S)-2-Benzenesulfonylamino-3-(4-piperazin-1-yl-ben...)Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(cc1)N1CCNCC1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H24N4O5S/c25-19(15-6-8-16(9-7-15)24-12-10-21-11-13-24)22-14-18(20(26)27)23-30(28,29)17-4-2-1-3-5-17/h1-9,18,21,23H,10-14H2,(H,22,25)(H,26,27)/t18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of glycoprotein IIb/III integrin mediated fibrinogen binding to activated platelets |
Bioorg Med Chem Lett 9: 863-8 (1999)
BindingDB Entry DOI: 10.7270/Q2SJ1JSK |
More data for this Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50076055
((S)-3-[4-(4-Amino-butoxy)-benzoylamino]-2-benzenes...)Show SMILES NCCCCOc1ccc(cc1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C20H25N3O6S/c21-12-4-5-13-29-16-10-8-15(9-11-16)19(24)22-14-18(20(25)26)23-30(27,28)17-6-2-1-3-7-17/h1-3,6-11,18,23H,4-5,12-14,21H2,(H,22,24)(H,25,26)/t18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of glycoprotein IIb/III integrin mediated fibrinogen binding to activated platelets |
Bioorg Med Chem Lett 9: 863-8 (1999)
BindingDB Entry DOI: 10.7270/Q2SJ1JSK |
More data for this Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50076060
((S)-2-Benzenesulfonylamino-3-(4-piperazin-1-ylmeth...)Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(CN2CCNCC2)cc1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H26N4O5S/c26-20(17-8-6-16(7-9-17)15-25-12-10-22-11-13-25)23-14-19(21(27)28)24-31(29,30)18-4-2-1-3-5-18/h1-9,19,22,24H,10-15H2,(H,23,26)(H,27,28)/t19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of glycoprotein IIb/III integrin mediated fibrinogen binding to activated platelets |
Bioorg Med Chem Lett 9: 863-8 (1999)
BindingDB Entry DOI: 10.7270/Q2SJ1JSK |
More data for this Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50076065
((S)-3-[4-(3-Amino-propoxy)-benzoylamino]-2-benzene...)Show SMILES NCCCOc1ccc(cc1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C19H23N3O6S/c20-11-4-12-28-15-9-7-14(8-10-15)18(23)21-13-17(19(24)25)22-29(26,27)16-5-2-1-3-6-16/h1-3,5-10,17,22H,4,11-13,20H2,(H,21,23)(H,24,25)/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of glycoprotein IIb/III integrin mediated fibrinogen binding to activated platelets |
Bioorg Med Chem Lett 9: 863-8 (1999)
BindingDB Entry DOI: 10.7270/Q2SJ1JSK |
More data for this Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50076064
((S)-3-[4-(2-Amino-ethoxy)-benzoylamino]-2-benzenes...)Show SMILES NCCOc1ccc(cc1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C18H21N3O6S/c19-10-11-27-14-8-6-13(7-9-14)17(22)20-12-16(18(23)24)21-28(25,26)15-4-2-1-3-5-15/h1-9,16,21H,10-12,19H2,(H,20,22)(H,23,24)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of glycoprotein IIb/III integrin mediated fibrinogen binding to activated platelets |
Bioorg Med Chem Lett 9: 863-8 (1999)
BindingDB Entry DOI: 10.7270/Q2SJ1JSK |
More data for this Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50076053
((S)-2-Benzenesulfonylamino-3-[4-(2-piperidin-2-yl-...)Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(CCC2CCCCN2)cc1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H29N3O5S/c27-22(18-12-9-17(10-13-18)11-14-19-6-4-5-15-24-19)25-16-21(23(28)29)26-32(30,31)20-7-2-1-3-8-20/h1-3,7-10,12-13,19,21,24,26H,4-6,11,14-16H2,(H,25,27)(H,28,29)/t19?,21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of glycoprotein IIb/III integrin mediated fibrinogen binding to activated platelets |
Bioorg Med Chem Lett 9: 863-8 (1999)
BindingDB Entry DOI: 10.7270/Q2SJ1JSK |
More data for this Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50076061
((S)-3-[4-(3-Amino-propyl)-benzoylamino]-2-benzenes...)Show SMILES NCCCc1ccc(cc1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C19H23N3O5S/c20-12-4-5-14-8-10-15(11-9-14)18(23)21-13-17(19(24)25)22-28(26,27)16-6-2-1-3-7-16/h1-3,6-11,17,22H,4-5,12-13,20H2,(H,21,23)(H,24,25)/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of glycoprotein IIb/III integrin mediated fibrinogen binding to activated platelets |
Bioorg Med Chem Lett 9: 863-8 (1999)
BindingDB Entry DOI: 10.7270/Q2SJ1JSK |
More data for this Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50076056
((R)-3-[2-(7-Amino-heptanoylamino)-acetylamino]-2-b...)Show SMILES NCCCCCCC(=O)NCC(=O)NC[C@@H](NS(=O)(=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C18H28N4O6S/c19-11-7-2-1-6-10-16(23)21-13-17(24)20-12-15(18(25)26)22-29(27,28)14-8-4-3-5-9-14/h3-5,8-9,15,22H,1-2,6-7,10-13,19H2,(H,20,24)(H,21,23)(H,25,26)/t15-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of glycoprotein IIb/III integrin mediated fibrinogen binding to activated platelets |
Bioorg Med Chem Lett 9: 863-8 (1999)
BindingDB Entry DOI: 10.7270/Q2SJ1JSK |
More data for this Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50076054
((R)-3-[2-(6-Amino-hexanoylamino)-acetylamino]-2-be...)Show SMILES NCCCCCC(=O)NCC(=O)NC[C@@H](NS(=O)(=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C17H26N4O6S/c18-10-6-2-5-9-15(22)20-12-16(23)19-11-14(17(24)25)21-28(26,27)13-7-3-1-4-8-13/h1,3-4,7-8,14,21H,2,5-6,9-12,18H2,(H,19,23)(H,20,22)(H,24,25)/t14-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of glycoprotein IIb/III integrin mediated fibrinogen binding to activated platelets |
Bioorg Med Chem Lett 9: 863-8 (1999)
BindingDB Entry DOI: 10.7270/Q2SJ1JSK |
More data for this Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50076059
((S)-3-[4-(2-Amino-ethyl)-benzoylamino]-2-benzenesu...)Show SMILES NCCc1ccc(cc1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C18H21N3O5S/c19-11-10-13-6-8-14(9-7-13)17(22)20-12-16(18(23)24)21-27(25,26)15-4-2-1-3-5-15/h1-9,16,21H,10-12,19H2,(H,20,22)(H,23,24)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of glycoprotein IIb/III integrin mediated fibrinogen binding to activated platelets |
Bioorg Med Chem Lett 9: 863-8 (1999)
BindingDB Entry DOI: 10.7270/Q2SJ1JSK |
More data for this Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50076051
((S)-3-[3-(2-Amino-ethoxy)-benzoylamino]-2-benzenes...)Show SMILES NCCOc1cccc(c1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C18H21N3O6S/c19-9-10-27-14-6-4-5-13(11-14)17(22)20-12-16(18(23)24)21-28(25,26)15-7-2-1-3-8-15/h1-8,11,16,21H,9-10,12,19H2,(H,20,22)(H,23,24)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of glycoprotein IIb/III integrin mediated fibrinogen binding to activated platelets |
Bioorg Med Chem Lett 9: 863-8 (1999)
BindingDB Entry DOI: 10.7270/Q2SJ1JSK |
More data for this Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50076062
((R)-3-[2-(5-Amino-pentanoylamino)-acetylamino]-2-b...)Show SMILES NCCCCC(=O)NCC(=O)NC[C@@H](NS(=O)(=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C16H24N4O6S/c17-9-5-4-8-14(21)19-11-15(22)18-10-13(16(23)24)20-27(25,26)12-6-2-1-3-7-12/h1-3,6-7,13,20H,4-5,8-11,17H2,(H,18,22)(H,19,21)(H,23,24)/t13-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of glycoprotein IIb/III integrin mediated fibrinogen binding to activated platelets |
Bioorg Med Chem Lett 9: 863-8 (1999)
BindingDB Entry DOI: 10.7270/Q2SJ1JSK |
More data for this Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50076063
((R)-3-[2-(4-Amino-butyrylamino)-acetylamino]-2-ben...)Show SMILES NCCCC(=O)NCC(=O)NC[C@@H](NS(=O)(=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C15H22N4O6S/c16-8-4-7-13(20)18-10-14(21)17-9-12(15(22)23)19-26(24,25)11-5-2-1-3-6-11/h1-3,5-6,12,19H,4,7-10,16H2,(H,17,21)(H,18,20)(H,22,23)/t12-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of glycoprotein IIb/III integrin mediated fibrinogen binding to activated platelets |
Bioorg Med Chem Lett 9: 863-8 (1999)
BindingDB Entry DOI: 10.7270/Q2SJ1JSK |
More data for this Ligand-Target Pair | |