Found 76 hits of Enzyme Inhibition Constant Data 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 |
|---|
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50066659
(1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)CN(C1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C21H27N3O8S2/c1-21(2)13-23(33(27,28)17-9-5-15(31-3)6-10-17)20(19(25)22-26)24(14-21)34(29,30)18-11-7-16(32-4)8-12-18/h5-12,20,26H,13-14H2,1-4H3,(H,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP9 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50386892
(CHEMBL2048512 | MMP inhibitor III)Show SMILES CNC(=O)C(CCc1ccccc1)NC(=O)C(CC(C)C)CC(=O)NO Show InChI InChI=1S/C19H29N3O4/c1-13(2)11-15(12-17(23)22-26)18(24)21-16(19(25)20-3)10-9-14-7-5-4-6-8-14/h4-8,13,15-16,26H,9-12H2,1-3H3,(H,20,25)(H,21,24)(H,22,23) | 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 | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP2 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50386892
(CHEMBL2048512 | MMP inhibitor III)Show SMILES CNC(=O)C(CCc1ccccc1)NC(=O)C(CC(C)C)CC(=O)NO Show InChI InChI=1S/C19H29N3O4/c1-13(2)11-15(12-17(23)22-26)18(24)21-16(19(25)20-3)10-9-14-7-5-4-6-8-14/h4-8,13,15-16,26H,9-12H2,1-3H3,(H,20,25)(H,21,24)(H,22,23) | 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 | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP1 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50386892
(CHEMBL2048512 | MMP inhibitor III)Show SMILES CNC(=O)C(CCc1ccccc1)NC(=O)C(CC(C)C)CC(=O)NO Show InChI InChI=1S/C19H29N3O4/c1-13(2)11-15(12-17(23)22-26)18(24)21-16(19(25)20-3)10-9-14-7-5-4-6-8-14/h4-8,13,15-16,26H,9-12H2,1-3H3,(H,20,25)(H,21,24)(H,22,23) | 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 | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50386892
(CHEMBL2048512 | MMP inhibitor III)Show SMILES CNC(=O)C(CCc1ccccc1)NC(=O)C(CC(C)C)CC(=O)NO Show InChI InChI=1S/C19H29N3O4/c1-13(2)11-15(12-17(23)22-26)18(24)21-16(19(25)20-3)10-9-14-7-5-4-6-8-14/h4-8,13,15-16,26H,9-12H2,1-3H3,(H,20,25)(H,21,24)(H,22,23) | 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 | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50066659
(1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)CN(C1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C21H27N3O8S2/c1-21(2)13-23(33(27,28)17-9-5-15(31-3)6-10-17)20(19(25)22-26)24(14-21)34(29,30)18-11-7-16(32-4)8-12-18/h5-12,20,26H,13-14H2,1-4H3,(H,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
Article
PubMed
| n/a | n/a | 28.6 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP3 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50210054
((R,E)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropa...)Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C19H18O8/c1-26-19(25)17(10-12-3-6-14(21)16(23)9-12)27-18(24)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3/b7-4+/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP9 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50386894
(CHEMBL2048505)Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c2O[C@@H]([C@@H](C(=O)OC)c12)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C29H26O12/c1-38-28(36)22(12-14-3-7-17(30)20(33)11-14)40-23(35)10-6-15-4-9-19(32)27-24(15)25(29(37)39-2)26(41-27)16-5-8-18(31)21(34)13-16/h3-11,13,22,25-26,30-34H,12H2,1-2H3/b10-6+/t22-,25+,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
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM7459
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 980 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50386894
(CHEMBL2048505)Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c2O[C@@H]([C@@H](C(=O)OC)c12)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C29H26O12/c1-38-28(36)22(12-14-3-7-17(30)20(33)11-14)40-23(35)10-6-15-4-9-19(32)27-24(15)25(29(37)39-2)26(41-27)16-5-8-18(31)21(34)13-16/h3-11,13,22,25-26,30-34H,12H2,1-2H3/b10-6+/t22-,25+,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
| n/a | n/a | 990 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP9 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50386893
(CHEMBL2048502)Show SMILES COC(=O)C1(O)CC(OC(=O)\C=C\c2ccc(O)c(O)c2)C(O)C(C1)OC(=O)\C=C\c1ccc(O)c(O)c1 |(14.43,-.8,;15.2,.53,;16.74,.53,;17.51,1.87,;17.51,-.8,;18.28,.53,;16.19,-1.58,;16.19,-3.12,;14.85,-3.89,;13.52,-3.12,;12.19,-3.89,;13.52,-1.58,;12.18,-.81,;12.18,.73,;10.84,1.48,;10.84,3.02,;12.17,3.8,;12.17,5.34,;13.51,3.03,;14.84,3.8,;13.51,1.49,;17.51,-3.88,;17.51,-5.42,;18.84,-3.12,;18.84,-1.58,;20.18,-3.89,;21.51,-3.12,;22.84,-3.89,;21.51,-1.58,;22.85,-.81,;22.85,.73,;24.18,1.49,;24.19,3.03,;22.85,3.8,;22.85,5.34,;21.51,3.02,;20.18,3.79,;21.52,1.49,)| Show InChI InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM7460
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP9 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50386897
(CHEMBL2048508)Show SMILES OC1C(=O)[C@H](Oc2cc(O)cc(O)c12)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,13,15-21H/t13?,15-/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 | 1.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50386895
(CHEMBL2048506)Show SMILES CCCCOC(=O)[C@@H]1[C@H](Oc2c1c(\C=C\C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(O)=O)ccc2O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C31H30O12/c1-2-3-12-41-31(40)27-26-17(5-10-21(34)29(26)43-28(27)18-6-9-20(33)23(36)15-18)7-11-25(37)42-24(30(38)39)14-16-4-8-19(32)22(35)13-16/h4-11,13,15,24,27-28,32-36H,2-3,12,14H2,1H3,(H,38,39)/b11-7+/t24-,27+,28-/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 | 1.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50210054
((R,E)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropa...)Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C19H18O8/c1-26-19(25)17(10-12-3-6-14(21)16(23)9-12)27-18(24)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3/b7-4+/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50386895
(CHEMBL2048506)Show SMILES CCCCOC(=O)[C@@H]1[C@H](Oc2c1c(\C=C\C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(O)=O)ccc2O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C31H30O12/c1-2-3-12-41-31(40)27-26-17(5-10-21(34)29(26)43-28(27)18-6-9-20(33)23(36)15-18)7-11-25(37)42-24(30(38)39)14-16-4-8-19(32)22(35)13-16/h4-11,13,15,24,27-28,32-36H,2-3,12,14H2,1H3,(H,38,39)/b11-7+/t24-,27+,28-/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 | 3.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP1 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50386895
(CHEMBL2048506)Show SMILES CCCCOC(=O)[C@@H]1[C@H](Oc2c1c(\C=C\C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(O)=O)ccc2O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C31H30O12/c1-2-3-12-41-31(40)27-26-17(5-10-21(34)29(26)43-28(27)18-6-9-20(33)23(36)15-18)7-11-25(37)42-24(30(38)39)14-16-4-8-19(32)22(35)13-16/h4-11,13,15,24,27-28,32-36H,2-3,12,14H2,1H3,(H,38,39)/b11-7+/t24-,27+,28-/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 | 3.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP9 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50210054
((R,E)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropa...)Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C19H18O8/c1-26-19(25)17(10-12-3-6-14(21)16(23)9-12)27-18(24)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3/b7-4+/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP2 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM7459
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP2 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50386893
(CHEMBL2048502)Show SMILES COC(=O)C1(O)CC(OC(=O)\C=C\c2ccc(O)c(O)c2)C(O)C(C1)OC(=O)\C=C\c1ccc(O)c(O)c1 |(14.43,-.8,;15.2,.53,;16.74,.53,;17.51,1.87,;17.51,-.8,;18.28,.53,;16.19,-1.58,;16.19,-3.12,;14.85,-3.89,;13.52,-3.12,;12.19,-3.89,;13.52,-1.58,;12.18,-.81,;12.18,.73,;10.84,1.48,;10.84,3.02,;12.17,3.8,;12.17,5.34,;13.51,3.03,;14.84,3.8,;13.51,1.49,;17.51,-3.88,;17.51,-5.42,;18.84,-3.12,;18.84,-1.58,;20.18,-3.89,;21.51,-3.12,;22.84,-3.89,;21.51,-1.58,;22.85,-.81,;22.85,.73,;24.18,1.49,;24.19,3.03,;22.85,3.8,;22.85,5.34,;21.51,3.02,;20.18,3.79,;21.52,1.49,)| Show InChI InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.88E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP2 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM7460
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP3 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM7459
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP9 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50049400
((+/-) taxifolin | (+/-)-Dihydroquercetin | (+/-)-t...)Show InChI InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13,15-20H | 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 | 5.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM7460
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP2 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50386893
(CHEMBL2048502)Show SMILES COC(=O)C1(O)CC(OC(=O)\C=C\c2ccc(O)c(O)c2)C(O)C(C1)OC(=O)\C=C\c1ccc(O)c(O)c1 |(14.43,-.8,;15.2,.53,;16.74,.53,;17.51,1.87,;17.51,-.8,;18.28,.53,;16.19,-1.58,;16.19,-3.12,;14.85,-3.89,;13.52,-3.12,;12.19,-3.89,;13.52,-1.58,;12.18,-.81,;12.18,.73,;10.84,1.48,;10.84,3.02,;12.17,3.8,;12.17,5.34,;13.51,3.03,;14.84,3.8,;13.51,1.49,;17.51,-3.88,;17.51,-5.42,;18.84,-3.12,;18.84,-1.58,;20.18,-3.89,;21.51,-3.12,;22.84,-3.89,;21.51,-1.58,;22.85,-.81,;22.85,.73,;24.18,1.49,;24.19,3.03,;22.85,3.8,;22.85,5.34,;21.51,3.02,;20.18,3.79,;21.52,1.49,)| Show InChI InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50386894
(CHEMBL2048505)Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c2O[C@@H]([C@@H](C(=O)OC)c12)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C29H26O12/c1-38-28(36)22(12-14-3-7-17(30)20(33)11-14)40-23(35)10-6-15-4-9-19(32)27-24(15)25(29(37)39-2)26(41-27)16-5-8-18(31)21(34)13-16/h3-11,13,22,25-26,30-34H,12H2,1-2H3/b10-6+/t22-,25+,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
| n/a | n/a | 8.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP3 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50386896
(ISOACTEOSIDE)Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](COC(=O)\C=C\c3ccc(O)c(O)c3)O[C@@H](OCCc3ccc(O)c(O)c3)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27-,28+,29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50386894
(CHEMBL2048505)Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c2O[C@@H]([C@@H](C(=O)OC)c12)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C29H26O12/c1-38-28(36)22(12-14-3-7-17(30)20(33)11-14)40-23(35)10-6-15-4-9-19(32)27-24(15)25(29(37)39-2)26(41-27)16-5-8-18(31)21(34)13-16/h3-11,13,22,25-26,30-34H,12H2,1-2H3/b10-6+/t22-,25+,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
| n/a | n/a | 8.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP1 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM7460
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50386896
(ISOACTEOSIDE)Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](COC(=O)\C=C\c3ccc(O)c(O)c3)O[C@@H](OCCc3ccc(O)c(O)c3)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27-,28+,29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP2 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50386897
(CHEMBL2048508)Show SMILES OC1C(=O)[C@H](Oc2cc(O)cc(O)c12)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,13,15-21H/t13?,15-/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 | 9.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50386902
(CHEMBL2048509)Show InChI InChI=1S/C20H24O7/c1-25-17-11-14(6-7-15(17)23)20(24)19(12-22)27-16-8-5-13(4-3-9-21)10-18(16)26-2/h3-8,10-11,19-24H,9,12H2,1-2H3/b4-3- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP9 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM7459
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM76247
(MLS002472883 | SMR001396994 | [(2R,3S)-2,8-bis(4-h...)Show SMILES O[C@H]1Cc2c(O)cc3OC(C(C(=O)c4c(O)cc(O)cc4O)c3c2O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)28-22(37)11-18-19(34)12-23-25(30(18)40-28)26(29(39-23)14-3-7-16(32)8-4-14)27(38)24-20(35)9-17(33)10-21(24)36/h1-10,12,22,26,28-29,31-37H,11H2/t22-,26?,28+,29?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP9 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM7460
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50386893
(CHEMBL2048502)Show SMILES COC(=O)C1(O)CC(OC(=O)\C=C\c2ccc(O)c(O)c2)C(O)C(C1)OC(=O)\C=C\c1ccc(O)c(O)c1 |(14.43,-.8,;15.2,.53,;16.74,.53,;17.51,1.87,;17.51,-.8,;18.28,.53,;16.19,-1.58,;16.19,-3.12,;14.85,-3.89,;13.52,-3.12,;12.19,-3.89,;13.52,-1.58,;12.18,-.81,;12.18,.73,;10.84,1.48,;10.84,3.02,;12.17,3.8,;12.17,5.34,;13.51,3.03,;14.84,3.8,;13.51,1.49,;17.51,-3.88,;17.51,-5.42,;18.84,-3.12,;18.84,-1.58,;20.18,-3.89,;21.51,-3.12,;22.84,-3.89,;21.51,-1.58,;22.85,-.81,;22.85,.73,;24.18,1.49,;24.19,3.03,;22.85,3.8,;22.85,5.34,;21.51,3.02,;20.18,3.79,;21.52,1.49,)| Show InChI InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP3 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50386898
(CHEMBL2048511)Show InChI InChI=1S/C10H18O4/c1-6(2)5-8(11)14-9(7(3)4)10(12)13/h6-7,9H,5H2,1-4H3,(H,12,13) | 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 | 1.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP1 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50386896
(ISOACTEOSIDE)Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](COC(=O)\C=C\c3ccc(O)c(O)c3)O[C@@H](OCCc3ccc(O)c(O)c3)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27-,28+,29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.11E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50155447
(1,3,6,7-Tetrahydroxy-xanthen-9-one | 1,3,6,7-tetra...)Show InChI InChI=1S/C13H8O6/c14-5-1-9(17)12-11(2-5)19-10-4-8(16)7(15)3-6(10)13(12)18/h1-4,14-17H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP1 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50386893
(CHEMBL2048502)Show SMILES COC(=O)C1(O)CC(OC(=O)\C=C\c2ccc(O)c(O)c2)C(O)C(C1)OC(=O)\C=C\c1ccc(O)c(O)c1 |(14.43,-.8,;15.2,.53,;16.74,.53,;17.51,1.87,;17.51,-.8,;18.28,.53,;16.19,-1.58,;16.19,-3.12,;14.85,-3.89,;13.52,-3.12,;12.19,-3.89,;13.52,-1.58,;12.18,-.81,;12.18,.73,;10.84,1.48,;10.84,3.02,;12.17,3.8,;12.17,5.34,;13.51,3.03,;14.84,3.8,;13.51,1.49,;17.51,-3.88,;17.51,-5.42,;18.84,-3.12,;18.84,-1.58,;20.18,-3.89,;21.51,-3.12,;22.84,-3.89,;21.51,-1.58,;22.85,-.81,;22.85,.73,;24.18,1.49,;24.19,3.03,;22.85,3.8,;22.85,5.34,;21.51,3.02,;20.18,3.79,;21.52,1.49,)| Show InChI InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP9 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50386894
(CHEMBL2048505)Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c2O[C@@H]([C@@H](C(=O)OC)c12)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C29H26O12/c1-38-28(36)22(12-14-3-7-17(30)20(33)11-14)40-23(35)10-6-15-4-9-19(32)27-24(15)25(29(37)39-2)26(41-27)16-5-8-18(31)21(34)13-16/h3-11,13,22,25-26,30-34H,12H2,1-2H3/b10-6+/t22-,25+,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
| n/a | n/a | 1.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP2 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50386897
(CHEMBL2048508)Show SMILES OC1C(=O)[C@H](Oc2cc(O)cc(O)c12)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,13,15-21H/t13?,15-/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 | 1.19E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP2 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50386901
(CHEMBL2048504)Show InChI InChI=1S/C17H20O6/c18-13-5-7-17(22,8-6-13)9-10-23-16(21)4-2-12-1-3-14(19)15(20)11-12/h1-4,11,19-20,22H,5-10H2/b4-2+ | 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 | 1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP9 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50386899
(CHEMBL2048507)Show SMILES Oc1ccc(cc1)[C@@H]1CCc2c(O)cc3O[C@]4(Oc5cc(O)cc(O)c5C(=O)[C@]4(O)c3c2O1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C30H22O10/c31-16-5-1-14(2-6-16)22-10-9-19-20(34)13-24-26(27(19)38-22)29(37)28(36)25-21(35)11-18(33)12-23(25)39-30(29,40-24)15-3-7-17(32)8-4-15/h1-8,11-13,22,31-35,37H,9-10H2/t22-,29+,30+/m0/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 | 1.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM76247
(MLS002472883 | SMR001396994 | [(2R,3S)-2,8-bis(4-h...)Show SMILES O[C@H]1Cc2c(O)cc3OC(C(C(=O)c4c(O)cc(O)cc4O)c3c2O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)28-22(37)11-18-19(34)12-23-25(30(18)40-28)26(29(39-23)14-3-7-16(32)8-4-14)27(38)24-20(35)9-17(33)10-21(24)36/h1-10,12,22,26,28-29,31-37H,11H2/t22-,26?,28+,29?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP2 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50386898
(CHEMBL2048511)Show InChI InChI=1S/C10H18O4/c1-6(2)5-8(11)14-9(7(3)4)10(12)13/h6-7,9H,5H2,1-4H3,(H,12,13) | 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 | 1.43E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP9 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50386896
(ISOACTEOSIDE)Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](COC(=O)\C=C\c3ccc(O)c(O)c3)O[C@@H](OCCc3ccc(O)c(O)c3)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27-,28+,29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.43E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP9 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50210054
((R,E)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropa...)Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C19H18O8/c1-26-19(25)17(10-12-3-6-14(21)16(23)9-12)27-18(24)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3/b7-4+/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP1 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50386895
(CHEMBL2048506)Show SMILES CCCCOC(=O)[C@@H]1[C@H](Oc2c1c(\C=C\C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(O)=O)ccc2O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C31H30O12/c1-2-3-12-41-31(40)27-26-17(5-10-21(34)29(26)43-28(27)18-6-9-20(33)23(36)15-18)7-11-25(37)42-24(30(38)39)14-16-4-8-19(32)22(35)13-16/h4-11,13,15,24,27-28,32-36H,2-3,12,14H2,1H3,(H,38,39)/b11-7+/t24-,27+,28-/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 | 1.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP3 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50386895
(CHEMBL2048506)Show SMILES CCCCOC(=O)[C@@H]1[C@H](Oc2c1c(\C=C\C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(O)=O)ccc2O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C31H30O12/c1-2-3-12-41-31(40)27-26-17(5-10-21(34)29(26)43-28(27)18-6-9-20(33)23(36)15-18)7-11-25(37)42-24(30(38)39)14-16-4-8-19(32)22(35)13-16/h4-11,13,15,24,27-28,32-36H,2-3,12,14H2,1H3,(H,38,39)/b11-7+/t24-,27+,28-/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 | 1.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP2 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM7459
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.62E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP3 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50386893
(CHEMBL2048502)Show SMILES COC(=O)C1(O)CC(OC(=O)\C=C\c2ccc(O)c(O)c2)C(O)C(C1)OC(=O)\C=C\c1ccc(O)c(O)c1 |(14.43,-.8,;15.2,.53,;16.74,.53,;17.51,1.87,;17.51,-.8,;18.28,.53,;16.19,-1.58,;16.19,-3.12,;14.85,-3.89,;13.52,-3.12,;12.19,-3.89,;13.52,-1.58,;12.18,-.81,;12.18,.73,;10.84,1.48,;10.84,3.02,;12.17,3.8,;12.17,5.34,;13.51,3.03,;14.84,3.8,;13.51,1.49,;17.51,-3.88,;17.51,-5.42,;18.84,-3.12,;18.84,-1.58,;20.18,-3.89,;21.51,-3.12,;22.84,-3.89,;21.51,-1.58,;22.85,-.81,;22.85,.73,;24.18,1.49,;24.19,3.03,;22.85,3.8,;22.85,5.34,;21.51,3.02,;20.18,3.79,;21.52,1.49,)| Show InChI InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.63E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP1 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50386894
(CHEMBL2048505)Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c2O[C@@H]([C@@H](C(=O)OC)c12)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C29H26O12/c1-38-28(36)22(12-14-3-7-17(30)20(33)11-14)40-23(35)10-6-15-4-9-19(32)27-24(15)25(29(37)39-2)26(41-27)16-5-8-18(31)21(34)13-16/h3-11,13,22,25-26,30-34H,12H2,1-2H3/b10-6+/t22-,25+,26-/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 | 1.85E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50386897
(CHEMBL2048508)Show SMILES OC1C(=O)[C@H](Oc2cc(O)cc(O)c12)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,13,15-21H/t13?,15-/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 | 2.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP3 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50386899
(CHEMBL2048507)Show SMILES Oc1ccc(cc1)[C@@H]1CCc2c(O)cc3O[C@]4(Oc5cc(O)cc(O)c5C(=O)[C@]4(O)c3c2O1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C30H22O10/c31-16-5-1-14(2-6-16)22-10-9-19-20(34)13-24-26(27(19)38-22)29(37)28(36)25-21(35)11-18(33)12-23(25)39-30(29,40-24)15-3-7-17(32)8-4-15/h1-8,11-13,22,31-35,37H,9-10H2/t22-,29+,30+/m0/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 | 2.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP9 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50386899
(CHEMBL2048507)Show SMILES Oc1ccc(cc1)[C@@H]1CCc2c(O)cc3O[C@]4(Oc5cc(O)cc(O)c5C(=O)[C@]4(O)c3c2O1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C30H22O10/c31-16-5-1-14(2-6-16)22-10-9-19-20(34)13-24-26(27(19)38-22)29(37)28(36)25-21(35)11-18(33)12-23(25)39-30(29,40-24)15-3-7-17(32)8-4-15/h1-8,11-13,22,31-35,37H,9-10H2/t22-,29+,30+/m0/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 | 2.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP3 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50049400
((+/-) taxifolin | (+/-)-Dihydroquercetin | (+/-)-t...)Show InChI InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13,15-20H | 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 | 2.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP2 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50386899
(CHEMBL2048507)Show SMILES Oc1ccc(cc1)[C@@H]1CCc2c(O)cc3O[C@]4(Oc5cc(O)cc(O)c5C(=O)[C@]4(O)c3c2O1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C30H22O10/c31-16-5-1-14(2-6-16)22-10-9-19-20(34)13-24-26(27(19)38-22)29(37)28(36)25-21(35)11-18(33)12-23(25)39-30(29,40-24)15-3-7-17(32)8-4-15/h1-8,11-13,22,31-35,37H,9-10H2/t22-,29+,30+/m0/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 | 2.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP2 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50386898
(CHEMBL2048511)Show InChI InChI=1S/C10H18O4/c1-6(2)5-8(11)14-9(7(3)4)10(12)13/h6-7,9H,5H2,1-4H3,(H,12,13) | 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 | 2.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP2 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50386895
(CHEMBL2048506)Show SMILES CCCCOC(=O)[C@@H]1[C@H](Oc2c1c(\C=C\C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(O)=O)ccc2O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C31H30O12/c1-2-3-12-41-31(40)27-26-17(5-10-21(34)29(26)43-28(27)18-6-9-20(33)23(36)15-18)7-11-25(37)42-24(30(38)39)14-16-4-8-19(32)22(35)13-16/h4-11,13,15,24,27-28,32-36H,2-3,12,14H2,1H3,(H,38,39)/b11-7+/t24-,27+,28-/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 | 2.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM76247
(MLS002472883 | SMR001396994 | [(2R,3S)-2,8-bis(4-h...)Show SMILES O[C@H]1Cc2c(O)cc3OC(C(C(=O)c4c(O)cc(O)cc4O)c3c2O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)28-22(37)11-18-19(34)12-23-25(30(18)40-28)26(29(39-23)14-3-7-16(32)8-4-14)27(38)24-20(35)9-17(33)10-21(24)36/h1-10,12,22,26,28-29,31-37H,11H2/t22-,26?,28+,29?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.56E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP3 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50108046
((oxyresveratrol)4-[(E)-2-(3,5-dihydroxyphenyl)viny...)Show InChI InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.76E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP2 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50210054
((R,E)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropa...)Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C19H18O8/c1-26-19(25)17(10-12-3-6-14(21)16(23)9-12)27-18(24)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3/b7-4+/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP3 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50386897
(CHEMBL2048508)Show SMILES OC1C(=O)[C@H](Oc2cc(O)cc(O)c12)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,13,15-21H/t13?,15-/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 | 2.88E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP9 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50210054
((R,E)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropa...)Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C19H18O8/c1-26-19(25)17(10-12-3-6-14(21)16(23)9-12)27-18(24)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3/b7-4+/t17-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50049400
((+/-) taxifolin | (+/-)-Dihydroquercetin | (+/-)-t...)Show InChI InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13,15-20H | 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 | 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP9 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50386900
(CHEMBL2048510)Show SMILES C[C@]12CCC[C@](C)([C@@H]1CCC1=CC(=O)CC[C@H]21)C(O)=O |r,t:11| Show InChI InChI=1S/C17H24O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-4-11-10-12(18)5-6-13(11)16/h10,13-14H,3-9H2,1-2H3,(H,19,20)/t13-,14+,16+,17+/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
| n/a | n/a | 3.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP2 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50049400
((+/-) taxifolin | (+/-)-Dihydroquercetin | (+/-)-t...)Show InChI InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13,15-20H | 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 | 3.39E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP3 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50049400
((+/-) taxifolin | (+/-)-Dihydroquercetin | (+/-)-t...)Show InChI InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13,15-20H | 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 | 3.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50386898
(CHEMBL2048511)Show InChI InChI=1S/C10H18O4/c1-6(2)5-8(11)14-9(7(3)4)10(12)13/h6-7,9H,5H2,1-4H3,(H,12,13) | 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 | 3.82E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP3 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50386898
(CHEMBL2048511)Show InChI InChI=1S/C10H18O4/c1-6(2)5-8(11)14-9(7(3)4)10(12)13/h6-7,9H,5H2,1-4H3,(H,12,13) | 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 | 4.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM76247
(MLS002472883 | SMR001396994 | [(2R,3S)-2,8-bis(4-h...)Show SMILES O[C@H]1Cc2c(O)cc3OC(C(C(=O)c4c(O)cc(O)cc4O)c3c2O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)28-22(37)11-18-19(34)12-23-25(30(18)40-28)26(29(39-23)14-3-7-16(32)8-4-14)27(38)24-20(35)9-17(33)10-21(24)36/h1-10,12,22,26,28-29,31-37H,11H2/t22-,26?,28+,29?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50250505
((-)-(2R,3R)-Secoisolariciresinol | (-)-secoisolari...)Show SMILES COc1cc(C[C@@H](CO)[C@H](CO)C(O)c2ccc(O)c(OC)c2)ccc1O |r| Show InChI InChI=1S/C20H26O7/c1-26-18-8-12(3-5-16(18)23)7-14(10-21)15(11-22)20(25)13-4-6-17(24)19(9-13)27-2/h3-6,8-9,14-15,20-25H,7,10-11H2,1-2H3/t14-,15-,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
| n/a | n/a | 5.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP1 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50343049
((1S,3R,4R,5R)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acry...)Show SMILES COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@@H](C1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/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
| n/a | n/a | 5.88E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP3 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50343049
((1S,3R,4R,5R)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acry...)Show SMILES COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@@H](C1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/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
| n/a | n/a | 6.42E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP2 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50386896
(ISOACTEOSIDE)Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](COC(=O)\C=C\c3ccc(O)c(O)c3)O[C@@H](OCCc3ccc(O)c(O)c3)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27-,28+,29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP3 catalytic domain incubated for 20 mins by fluorimetric assay |
Bioorg Med Chem 20: 4164-71 (2012)
Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT |
More data for this
Ligand-Target Pair | |
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