Found 153 hits with Last Name = 'sabatini' and Initial = 'j' 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 |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356214
(CHEMBL1910471)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(c2)C#N)cc1)C(O)=O |r| Show InChI InChI=1S/C25H24N2O5S/c1-17(2)24(25(28)29)27-33(30,31)23-12-8-21(9-13-23)20-6-10-22(11-7-20)32-16-19-5-3-4-18(14-19)15-26/h3-14,17,24,27H,16H2,1-2H3,(H,28,29)/t24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356215
(CHEMBL1910473)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccc(cc2)C#N)cc1)C(O)=O |r| Show InChI InChI=1S/C25H24N2O5S/c1-17(2)24(25(28)29)27-33(30,31)23-13-9-21(10-14-23)20-7-11-22(12-8-20)32-16-19-5-3-18(15-26)4-6-19/h3-14,17,24,27H,16H2,1-2H3,(H,28,29)/t24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356209
(CHEMBL1910466)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccnc(C)c2)cc1)C(O)=O |r| Show InChI InChI=1S/C24H26N2O5S/c1-16(2)23(24(27)28)26-32(29,30)22-10-6-20(7-11-22)19-4-8-21(9-5-19)31-15-18-12-13-25-17(3)14-18/h4-14,16,23,26H,15H2,1-3H3,(H,27,28)/t23-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356210
(CHEMBL1910467)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccnc(c2)C(F)(F)F)cc1)C(O)=O |r| Show InChI InChI=1S/C24H23F3N2O5S/c1-15(2)22(23(30)31)29-35(32,33)20-9-5-18(6-10-20)17-3-7-19(8-4-17)34-14-16-11-12-28-21(13-16)24(25,26)27/h3-13,15,22,29H,14H2,1-2H3,(H,30,31)/t22-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356208
(CHEMBL1910465)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccncc2)cc1)C(O)=O |r| Show InChI InChI=1S/C23H24N2O5S/c1-16(2)22(23(26)27)25-31(28,29)21-9-5-19(6-10-21)18-3-7-20(8-4-18)30-15-17-11-13-24-14-12-17/h3-14,16,22,25H,15H2,1-2H3,(H,26,27)/t22-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50259007
((R)-2-(4'-((4-isobutyrylphenoxy)methyl)biphenyl-4-...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)C(C)C)cc1)C(O)=O |r| Show InChI InChI=1S/C28H31NO6S/c1-18(2)26(28(31)32)29-36(33,34)25-15-11-22(12-16-25)21-7-5-20(6-8-21)17-35-24-13-9-23(10-14-24)27(30)19(3)4/h5-16,18-19,26,29H,17H2,1-4H3,(H,31,32)/t26-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056 BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50259007
((R)-2-(4'-((4-isobutyrylphenoxy)methyl)biphenyl-4-...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)C(C)C)cc1)C(O)=O |r| Show InChI InChI=1S/C28H31NO6S/c1-18(2)26(28(31)32)29-36(33,34)25-15-11-22(12-16-25)21-7-5-20(6-8-21)17-35-24-13-9-23(10-14-24)27(30)19(3)4/h5-16,18-19,26,29H,17H2,1-4H3,(H,31,32)/t26-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056 BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356218
(CHEMBL1910476)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(c2)[N+]([O-])=O)cc1)C(O)=O |r| Show InChI InChI=1S/C24H24N2O7S/c1-16(2)23(24(27)28)25-34(31,32)22-12-8-19(9-13-22)18-6-10-21(11-7-18)33-15-17-4-3-5-20(14-17)26(29)30/h3-14,16,23,25H,15H2,1-2H3,(H,27,28)/t23-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356222
(CHEMBL1910648)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(Cl)c2)cc1)C(O)=O |r| Show InChI InChI=1S/C24H24ClNO5S/c1-16(2)23(24(27)28)26-32(29,30)22-12-8-19(9-13-22)18-6-10-21(11-7-18)31-15-17-4-3-5-20(25)14-17/h3-14,16,23,26H,15H2,1-2H3,(H,27,28)/t23-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356206
(CHEMBL1910459)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccc3ccccc3c2)cc1)C(O)=O |r| Show InChI InChI=1S/C28H27NO5S/c1-19(2)27(28(30)31)29-35(32,33)26-15-11-23(12-16-26)22-9-13-25(14-10-22)34-18-20-7-8-21-5-3-4-6-24(21)17-20/h3-17,19,27,29H,18H2,1-2H3,(H,30,31)/t27-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356216
(CHEMBL1910474)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1)C(O)=O |r| Show InChI InChI=1S/C25H24F3NO5S/c1-16(2)23(24(30)31)29-35(32,33)22-13-7-19(8-14-22)18-5-11-21(12-6-18)34-15-17-3-9-20(10-4-17)25(26,27)28/h3-14,16,23,29H,15H2,1-2H3,(H,30,31)/t23-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356221
(CHEMBL1910647)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(F)c2)cc1)C(O)=O |r| Show InChI InChI=1S/C24H24FNO5S/c1-16(2)23(24(27)28)26-32(29,30)22-12-8-19(9-13-22)18-6-10-21(11-7-18)31-15-17-4-3-5-20(25)14-17/h3-14,16,23,26H,15H2,1-2H3,(H,27,28)/t23-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50259009
((R)-3-methyl-2-(4'-((5-oxo-5,6,7,8-tetrahydronapht...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc3C(=O)CCCc3c2)cc1)C(O)=O |r| Show InChI InChI=1S/C28H29NO6S/c1-18(2)27(28(31)32)29-36(33,34)24-13-10-21(11-14-24)20-8-6-19(7-9-20)17-35-23-12-15-25-22(16-23)4-3-5-26(25)30/h6-16,18,27,29H,3-5,17H2,1-2H3,(H,31,32)/t27-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056 BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356219
(CHEMBL1910649)Show SMILES COC(=O)c1cccc(COc2ccc(cc2)-c2ccc(cc2)S(=O)(=O)N[C@H](C(C)C)C(O)=O)c1 |r| Show InChI InChI=1S/C26H27NO7S/c1-17(2)24(25(28)29)27-35(31,32)23-13-9-20(10-14-23)19-7-11-22(12-8-19)34-16-18-5-4-6-21(15-18)26(30)33-3/h4-15,17,24,27H,16H2,1-3H3,(H,28,29)/t24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356220
(CHEMBL1910650)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(c2)C(O)=O)cc1)C(O)=O |r| Show InChI InChI=1S/C25H25NO7S/c1-16(2)23(25(29)30)26-34(31,32)22-12-8-19(9-13-22)18-6-10-21(11-7-18)33-15-17-4-3-5-20(14-17)24(27)28/h3-14,16,23,26H,15H2,1-2H3,(H,27,28)(H,29,30)/t23-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356203
(CHEMBL1910472)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(c2)C(F)(F)F)cc1)C(O)=O |r| Show InChI InChI=1S/C25H24F3NO5S/c1-16(2)23(24(30)31)29-35(32,33)22-12-8-19(9-13-22)18-6-10-21(11-7-18)34-15-17-4-3-5-20(14-17)25(26,27)28/h3-14,16,23,29H,15H2,1-2H3,(H,30,31)/t23-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50258875
((R)-2-(4'-((4-(4-fluorobenzoyl)phenoxy)methyl)biph...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)c2ccc(F)cc2)cc1)C(O)=O |r| Show InChI InChI=1S/C31H28FNO6S/c1-20(2)29(31(35)36)33-40(37,38)28-17-11-23(12-18-28)22-5-3-21(4-6-22)19-39-27-15-9-25(10-16-27)30(34)24-7-13-26(32)14-8-24/h3-18,20,29,33H,19H2,1-2H3,(H,35,36)/t29-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056 BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM24047
((2R)-3-methyl-2-[(4-{4-[(3-methyl-1-benzofuran-2-y...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2oc3ccccc3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C27H27NO6S/c1-17(2)26(27(29)30)28-35(31,32)22-14-10-20(11-15-22)19-8-12-21(13-9-19)33-16-25-18(3)23-6-4-5-7-24(23)34-25/h4-15,17,26,28H,16H2,1-3H3,(H,29,30)/t26-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM24047
((2R)-3-methyl-2-[(4-{4-[(3-methyl-1-benzofuran-2-y...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2oc3ccccc3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C27H27NO6S/c1-17(2)26(27(29)30)28-35(31,32)22-14-10-20(11-15-22)19-8-12-21(13-9-19)33-16-25-18(3)23-6-4-5-7-24(23)34-25/h4-15,17,26,28H,16H2,1-3H3,(H,29,30)/t26-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Wyeth Research
| Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en... |
Bioorg Med Chem Lett 16: 311-6 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.001 BindingDB Entry DOI: 10.7270/Q2CJ8BS1 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356213
(CHEMBL1910470)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccccc2C#N)cc1)C(O)=O |r| Show InChI InChI=1S/C25H24N2O5S/c1-17(2)24(25(28)29)27-33(30,31)23-13-9-19(10-14-23)18-7-11-22(12-8-18)32-16-21-6-4-3-5-20(21)15-26/h3-14,17,24,27H,16H2,1-2H3,(H,28,29)/t24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356207
(CHEMBL1910460)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccnc3ccccc23)cc1)C(O)=O |r| Show InChI InChI=1S/C27H26N2O5S/c1-18(2)26(27(30)31)29-35(32,33)23-13-9-20(10-14-23)19-7-11-22(12-8-19)34-17-21-15-16-28-25-6-4-3-5-24(21)25/h3-16,18,26,29H,17H2,1-2H3,(H,30,31)/t26-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50258917
((R)-2-(4'-((4-(cyclohexanecarbonyl)phenoxy)methyl)...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)C2CCCCC2)cc1)C(O)=O |r| Show InChI InChI=1S/C31H35NO6S/c1-21(2)29(31(34)35)32-39(36,37)28-18-14-24(15-19-28)23-10-8-22(9-11-23)20-38-27-16-12-26(13-17-27)30(33)25-6-4-3-5-7-25/h8-19,21,25,29,32H,3-7,20H2,1-2H3,(H,34,35)/t29-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056 BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356204
(CHEMBL1910453)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C24H25NO5S/c1-17(2)23(24(26)27)25-31(28,29)22-14-10-20(11-15-22)19-8-12-21(13-9-19)30-16-18-6-4-3-5-7-18/h3-15,17,23,25H,16H2,1-2H3,(H,26,27)/t23-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50259009
((R)-3-methyl-2-(4'-((5-oxo-5,6,7,8-tetrahydronapht...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc3C(=O)CCCc3c2)cc1)C(O)=O |r| Show InChI InChI=1S/C28H29NO6S/c1-18(2)27(28(31)32)29-36(33,34)24-13-10-21(11-14-24)20-8-6-19(7-9-20)17-35-23-12-15-25-22(16-23)4-3-5-26(25)30/h6-16,18,27,29H,3-5,17H2,1-2H3,(H,31,32)/t27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056 BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50258875
((R)-2-(4'-((4-(4-fluorobenzoyl)phenoxy)methyl)biph...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)c2ccc(F)cc2)cc1)C(O)=O |r| Show InChI InChI=1S/C31H28FNO6S/c1-20(2)29(31(35)36)33-40(37,38)28-17-11-23(12-18-28)22-5-3-21(4-6-22)19-39-27-15-9-25(10-16-27)30(34)24-7-13-26(32)14-8-24/h3-18,20,29,33H,19H2,1-2H3,(H,35,36)/t29-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056 BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356205
(CHEMBL1910458)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc3ccccc23)cc1)C(O)=O |r| Show InChI InChI=1S/C28H27NO5S/c1-19(2)27(28(30)31)29-35(32,33)25-16-12-21(13-17-25)20-10-14-24(15-11-20)34-18-23-8-5-7-22-6-3-4-9-26(22)23/h3-17,19,27,29H,18H2,1-2H3,(H,30,31)/t27-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356242
(CHEMBL1910461)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(O)=O |r| Show InChI InChI=1S/C28H28N2O5S/c1-18(2)27(28(31)32)30-36(33,34)24-14-10-21(11-15-24)20-8-12-23(13-9-20)35-17-22-16-19(3)29-26-7-5-4-6-25(22)26/h4-16,18,27,30H,17H2,1-3H3,(H,31,32)/t27-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356217
(CHEMBL1910475)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC(C)c2cccc(c2)C(F)(F)F)cc1)C(O)=O |r| Show InChI InChI=1S/C26H26F3NO5S/c1-16(2)24(25(31)32)30-36(33,34)23-13-9-19(10-14-23)18-7-11-22(12-8-18)35-17(3)20-5-4-6-21(15-20)26(27,28)29/h4-17,24,30H,1-3H3,(H,31,32)/t17?,24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50258917
((R)-2-(4'-((4-(cyclohexanecarbonyl)phenoxy)methyl)...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)C2CCCCC2)cc1)C(O)=O |r| Show InChI InChI=1S/C31H35NO6S/c1-21(2)29(31(34)35)32-39(36,37)28-18-14-24(15-19-28)23-10-8-22(9-11-23)20-38-27-16-12-26(13-17-27)30(33)25-6-4-3-5-7-25/h8-19,21,25,29,32H,3-7,20H2,1-2H3,(H,34,35)/t29-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056 BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM24047
((2R)-3-methyl-2-[(4-{4-[(3-methyl-1-benzofuran-2-y...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2oc3ccccc3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C27H27NO6S/c1-17(2)26(27(29)30)28-35(31,32)22-14-10-20(11-15-22)19-8-12-21(13-9-19)33-16-25-18(3)23-6-4-5-7-24(23)34-25/h4-15,17,26,28H,16H2,1-3H3,(H,29,30)/t26-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Wyeth Research
| Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en... |
Bioorg Med Chem Lett 16: 311-6 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.001 BindingDB Entry DOI: 10.7270/Q2CJ8BS1 |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50258875
((R)-2-(4'-((4-(4-fluorobenzoyl)phenoxy)methyl)biph...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)c2ccc(F)cc2)cc1)C(O)=O |r| Show InChI InChI=1S/C31H28FNO6S/c1-20(2)29(31(35)36)33-40(37,38)28-17-11-23(12-18-28)22-5-3-21(4-6-22)19-39-27-15-9-25(10-16-27)30(34)24-7-13-26(32)14-8-24/h3-18,20,29,33H,19H2,1-2H3,(H,35,36)/t29-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056 BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM24042
((2R)-3-methyl-2-[(4-{4-[(3-methyl-1-benzofuran-2-y...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC(=O)c2oc3ccccc3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C27H25NO7S/c1-16(2)24(26(29)30)28-36(32,33)21-14-10-19(11-15-21)18-8-12-20(13-9-18)34-27(31)25-17(3)22-6-4-5-7-23(22)35-25/h4-16,24,28H,1-3H3,(H,29,30)/t24-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Wyeth Research
| Assay Description The recombinant Agg-1 proteins pretreated with the various concentrations of the compound for 10 to 15 min. The reaction was initiated by addition of... |
Bioorg Med Chem Lett 16: 311-6 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.001 BindingDB Entry DOI: 10.7270/Q2CJ8BS1 |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50258917
((R)-2-(4'-((4-(cyclohexanecarbonyl)phenoxy)methyl)...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)C2CCCCC2)cc1)C(O)=O |r| Show InChI InChI=1S/C31H35NO6S/c1-21(2)29(31(34)35)32-39(36,37)28-18-14-24(15-19-28)23-10-8-22(9-11-23)20-38-27-16-12-26(13-17-27)30(33)25-6-4-3-5-7-25/h8-19,21,25,29,32H,3-7,20H2,1-2H3,(H,34,35)/t29-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056 BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50259007
((R)-2-(4'-((4-isobutyrylphenoxy)methyl)biphenyl-4-...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)C(C)C)cc1)C(O)=O |r| Show InChI InChI=1S/C28H31NO6S/c1-18(2)26(28(31)32)29-36(33,34)25-15-11-22(12-16-25)21-7-5-20(6-8-21)17-35-24-13-9-23(10-14-24)27(30)19(3)4/h5-16,18-19,26,29H,17H2,1-4H3,(H,31,32)/t26-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056 BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50259010
((R)-2-(3-fluoro-4'-((5-oxo-5,6,7,8-tetrahydronapht...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1F)-c1ccc(COc2ccc3C(=O)CCCc3c2)cc1)C(O)=O |r| Show InChI InChI=1S/C28H28FNO6S/c1-17(2)27(28(32)33)30-37(34,35)26-13-10-20(15-24(26)29)19-8-6-18(7-9-19)16-36-22-11-12-23-21(14-22)4-3-5-25(23)31/h6-15,17,27,30H,3-5,16H2,1-2H3,(H,32,33)/t27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056 BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50258873
((R)-3-methyl-2-(4'-((3-methylquinolin-2-yloxy)meth...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2nc3ccccc3cc2C)cc1)C(O)=O |r| Show InChI InChI=1S/C28H28N2O5S/c1-18(2)26(28(31)32)30-36(33,34)24-14-12-22(13-15-24)21-10-8-20(9-11-21)17-35-27-19(3)16-23-6-4-5-7-25(23)29-27/h4-16,18,26,30H,17H2,1-3H3,(H,31,32)/t26-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056 BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50258874
((R)-2-(4'-((2,8-bis(trifluoromethyl)quinolin-3-ylo...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2cc3cccc(c3nc2C(F)(F)F)C(F)(F)F)cc1)C(O)=O |r| Show InChI InChI=1S/C29H24F6N2O5S/c1-16(2)24(27(38)39)37-43(40,41)21-12-10-19(11-13-21)18-8-6-17(7-9-18)15-42-23-14-20-4-3-5-22(28(30,31)32)25(20)36-26(23)29(33,34)35/h3-14,16,24,37H,15H2,1-2H3,(H,38,39)/t24-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056 BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50258875
((R)-2-(4'-((4-(4-fluorobenzoyl)phenoxy)methyl)biph...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)c2ccc(F)cc2)cc1)C(O)=O |r| Show InChI InChI=1S/C31H28FNO6S/c1-20(2)29(31(35)36)33-40(37,38)28-17-11-23(12-18-28)22-5-3-21(4-6-22)19-39-27-15-9-25(10-16-27)30(34)24-7-13-26(32)14-8-24/h3-18,20,29,33H,19H2,1-2H3,(H,35,36)/t29-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of MMP14 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056 BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50259009
((R)-3-methyl-2-(4'-((5-oxo-5,6,7,8-tetrahydronapht...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc3C(=O)CCCc3c2)cc1)C(O)=O |r| Show InChI InChI=1S/C28H29NO6S/c1-18(2)27(28(31)32)29-36(33,34)24-13-10-21(11-14-24)20-8-6-19(7-9-20)17-35-23-12-15-25-22(16-23)4-3-5-26(25)30/h6-16,18,27,29H,3-5,17H2,1-2H3,(H,31,32)/t27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056 BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50259052
((R)-2-(4'-((4-benzoylphenoxy)methyl)biphenyl-4-yls...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)c2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C31H29NO6S/c1-21(2)29(31(34)35)32-39(36,37)28-18-14-24(15-19-28)23-10-8-22(9-11-23)20-38-27-16-12-26(13-17-27)30(33)25-6-4-3-5-7-25/h3-19,21,29,32H,20H2,1-2H3,(H,34,35)/t29-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056 BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50356203
(CHEMBL1910472)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(c2)C(F)(F)F)cc1)C(O)=O |r| Show InChI InChI=1S/C25H24F3NO5S/c1-16(2)23(24(30)31)29-35(32,33)22-12-8-19(9-13-22)18-6-10-21(11-7-18)34-15-17-4-3-5-20(14-17)25(26,27)28/h3-14,16,23,29H,15H2,1-2H3,(H,30,31)/t23-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of aggrecanase-1 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM24040
((2R)-2-({4-[4-(1-benzofuran-2-ylcarbonyloxy)phenyl...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC(=O)c2cc3ccccc3o2)cc1)C(O)=O |r| Show InChI InChI=1S/C26H23NO7S/c1-16(2)24(25(28)29)27-35(31,32)21-13-9-18(10-14-21)17-7-11-20(12-8-17)33-26(30)23-15-19-5-3-4-6-22(19)34-23/h3-16,24,27H,1-2H3,(H,28,29)/t24-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056 BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM24040
((2R)-2-({4-[4-(1-benzofuran-2-ylcarbonyloxy)phenyl...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC(=O)c2cc3ccccc3o2)cc1)C(O)=O |r| Show InChI InChI=1S/C26H23NO7S/c1-16(2)24(25(28)29)27-35(31,32)21-13-9-18(10-14-21)17-7-11-20(12-8-17)33-26(30)23-15-19-5-3-4-6-22(19)34-23/h3-16,24,27H,1-2H3,(H,28,29)/t24-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Wyeth Research
| Assay Description The recombinant Agg-1 proteins pretreated with the various concentrations of the compound for 10 to 15 min. The reaction was initiated by addition of... |
Bioorg Med Chem Lett 16: 311-6 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.001 BindingDB Entry DOI: 10.7270/Q2CJ8BS1 |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50356222
(CHEMBL1910648)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(Cl)c2)cc1)C(O)=O |r| Show InChI InChI=1S/C24H24ClNO5S/c1-16(2)23(24(27)28)26-32(29,30)22-12-8-19(9-13-22)18-6-10-21(11-7-18)31-15-17-4-3-5-20(25)14-17/h3-14,16,23,26H,15H2,1-2H3,(H,27,28)/t23-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of aggrecanase-1 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50259546
((R)-3-methyl-2-(4'-((4-phenoxyphenoxy)methyl)biphe...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(Oc3ccccc3)cc2)cc1)C(O)=O |r| Show InChI InChI=1S/C30H29NO6S/c1-21(2)29(30(32)33)31-38(34,35)28-18-12-24(13-19-28)23-10-8-22(9-11-23)20-36-25-14-16-27(17-15-25)37-26-6-4-3-5-7-26/h3-19,21,29,31H,20H2,1-2H3,(H,32,33)/t29-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056 BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM24046
((2R)-2-[(4-{4-[(E)-2-(1-benzofuran-2-yl)ethenyl]ph...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C\c2cc3ccccc3o2)cc1)C(O)=O |r| Show InChI InChI=1S/C27H25NO5S/c1-18(2)26(27(29)30)28-34(31,32)24-15-12-21(13-16-24)20-10-7-19(8-11-20)9-14-23-17-22-5-3-4-6-25(22)33-23/h3-18,26,28H,1-2H3,(H,29,30)/b14-9+/t26-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Wyeth Research
| Assay Description The recombinant Agg-1 proteins pretreated with the various concentrations of the compound for 10 to 15 min. The reaction was initiated by addition of... |
Bioorg Med Chem Lett 16: 311-6 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.001 BindingDB Entry DOI: 10.7270/Q2CJ8BS1 |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50258872
((R)-3-methyl-2-(4'-((quinolin-2-yloxy)methyl)biphe...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc3ccccc3n2)cc1)C(O)=O |r| Show InChI InChI=1S/C27H26N2O5S/c1-18(2)26(27(30)31)29-35(32,33)23-14-11-21(12-15-23)20-9-7-19(8-10-20)17-34-25-16-13-22-5-3-4-6-24(22)28-25/h3-16,18,26,29H,17H2,1-2H3,(H,30,31)/t26-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056 BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50356224
(CHEMBL1910449)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(CNC(C)=O)cc1)C(O)=O |r| Show InChI InChI=1S/C20H24N2O5S/c1-13(2)19(20(24)25)22-28(26,27)18-10-8-17(9-11-18)16-6-4-15(5-7-16)12-21-14(3)23/h4-11,13,19,22H,12H2,1-3H3,(H,21,23)(H,24,25)/t19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of aggrecanase-1 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50356223
(CHEMBL1910651)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(Br)c2)cc1)C(O)=O |r| Show InChI InChI=1S/C24H24BrNO5S/c1-16(2)23(24(27)28)26-32(29,30)22-12-8-19(9-13-22)18-6-10-21(11-7-18)31-15-17-4-3-5-20(25)14-17/h3-14,16,23,26H,15H2,1-2H3,(H,27,28)/t23-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of aggrecanase-1 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036 BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50259095
((R)-2-(4'-((4-acetylphenoxy)methyl)biphenyl-4-ylsu...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(C)=O)cc1)C(O)=O |r| Show InChI InChI=1S/C26H27NO6S/c1-17(2)25(26(29)30)27-34(31,32)24-14-10-22(11-15-24)21-6-4-19(5-7-21)16-33-23-12-8-20(9-13-23)18(3)28/h4-15,17,25,27H,16H2,1-3H3,(H,29,30)/t25-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056 BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this Ligand-Target Pair | |