Found 38 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 |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50028942
(CHEMBL1235735)Show SMILES ONC(=O)CC1(CCOCC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C19H21NO6S/c21-18(20-22)14-19(10-12-25-13-11-19)27(23,24)17-8-6-16(7-9-17)26-15-4-2-1-3-5-15/h1-9,22H,10-14H2,(H,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP1 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Matrilysin
(Homo sapiens (Human)) | BDBM50028945
(CHEMBL1738911)Show SMILES ON(C=O)[C@@H](CCCc1ncccn1)CS(=O)(=O)N1CCN(CC1)c1ccc(Br)cn1 |r| Show InChI InChI=1S/C19H25BrN6O4S/c20-16-5-6-19(23-13-16)24-9-11-25(12-10-24)31(29,30)14-17(26(28)15-27)3-1-4-18-21-7-2-8-22-18/h2,5-8,13,15,17,28H,1,3-4,9-12,14H2/t17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| PDB Article PubMed
| 79 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP7 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Matrilysin
(Homo sapiens (Human)) | BDBM50028944
(CHEMBL1738910)Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP7 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Collagenase 3
(Homo sapiens (Human)) | BDBM50265079
((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...)Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 0.670 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP13 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50028940
(CHEMBL3359657)Show SMILES CN(C)c1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)S(=O)(=O)C1(CCNCC1)C(=O)NO Show InChI InChI=1S/C22H26N6O4S/c1-27(2)17-5-3-16(4-6-17)20-15-28(26-24-20)18-7-9-19(10-8-18)33(31,32)22(21(29)25-30)11-13-23-14-12-22/h3-10,15,23,30H,11-14H2,1-2H3,(H,25,29) | 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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP2 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50028941
(CHEMBL3359658)Show SMILES CC(C)N(C)c1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)S(=O)(=O)C1(CCNCC1)C(=O)NO Show InChI InChI=1S/C24H30N6O4S/c1-17(2)29(3)19-6-4-18(5-7-19)22-16-30(28-26-22)20-8-10-21(11-9-20)35(33,34)24(23(31)27-32)12-14-25-15-13-24/h4-11,16-17,25,32H,12-15H2,1-3H3,(H,27,31) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP2 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM16596
(4-N,6-N-bis[(4-fluoro-3-methylphenyl)methyl]pyrimi...)Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(F)c(C)c2)ccc1F Show InChI InChI=1S/C22H20F2N4O2/c1-13-7-15(3-5-17(13)23)10-25-21(29)19-9-20(28-12-27-19)22(30)26-11-16-4-6-18(24)14(2)8-16/h3-9,12H,10-11H2,1-2H3,(H,25,29)(H,26,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP13 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Collagenase 3
(Homo sapiens (Human)) | BDBM50234334
(BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIA...)Show SMILES O=C(OCc1ccccc1)c1cn2c(cc(=O)n(Cc3ccccc3)c2=O)s1 Show InChI InChI=1S/C21H16N2O4S/c24-18-11-19-23(21(26)22(18)12-15-7-3-1-4-8-15)13-17(28-19)20(25)27-14-16-9-5-2-6-10-16/h1-11,13H,12,14H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP13 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50028943
(CHEMBL3359656)Show SMILES CC#CCOc1ccc(Oc2ccc(cc2)S(=O)(=O)NC(C(C)C)C(=O)NO)cc1 Show InChI InChI=1S/C21H24N2O6S/c1-4-5-14-28-16-6-8-17(9-7-16)29-18-10-12-19(13-11-18)30(26,27)23-20(15(2)3)21(24)22-25/h6-13,15,20,23,25H,14H2,1-3H3,(H,22,24) | 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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP1 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50028940
(CHEMBL3359657)Show SMILES CN(C)c1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)S(=O)(=O)C1(CCNCC1)C(=O)NO Show InChI InChI=1S/C22H26N6O4S/c1-27(2)17-5-3-16(4-6-17)20-15-28(26-24-20)18-7-9-19(10-8-18)33(31,32)22(21(29)25-30)11-13-23-14-12-22/h3-10,15,23,30H,11-14H2,1-2H3,(H,25,29) | 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 | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP9 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50028941
(CHEMBL3359658)Show SMILES CC(C)N(C)c1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)S(=O)(=O)C1(CCNCC1)C(=O)NO Show InChI InChI=1S/C24H30N6O4S/c1-17(2)29(3)19-6-4-18(5-7-19)22-16-30(28-26-22)20-8-10-21(11-9-20)35(33,34)24(23(31)27-32)12-14-25-15-13-24/h4-11,16-17,25,32H,12-15H2,1-3H3,(H,27,31) | 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 | 346 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP9 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50028939
(CHEMBL1231240)Show SMILES OCCC1CCN(CC1)[C@@]1(C(=O)NC(O)=NC1=O)c1ccccc1 |r,c:15| Show InChI InChI=1S/C17H21N3O4/c21-11-8-12-6-9-20(10-7-12)17(13-4-2-1-3-5-13)14(22)18-16(24)19-15(17)23/h1-5,12,21H,6-11H2,(H2,18,19,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP8 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Stromelysin-1
(Homo sapiens (Human)) | BDBM27878
(13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...)Show SMILES NC(=O)CC1CCCc2sc3nc([nH]c(=O)c3c12)C(=O)NCc1ccc2OCC(=O)Nc2c1 Show InChI InChI=1S/C22H21N5O5S/c23-15(28)7-11-2-1-3-14-17(11)18-20(30)26-19(27-22(18)33-14)21(31)24-8-10-4-5-13-12(6-10)25-16(29)9-32-13/h4-6,11H,1-3,7-9H2,(H2,23,28)(H,24,31)(H,25,29)(H,26,27,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP3 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM27878
(13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...)Show SMILES NC(=O)CC1CCCc2sc3nc([nH]c(=O)c3c12)C(=O)NCc1ccc2OCC(=O)Nc2c1 Show InChI InChI=1S/C22H21N5O5S/c23-15(28)7-11-2-1-3-14-17(11)18-20(30)26-19(27-22(18)33-14)21(31)24-8-10-4-5-13-12(6-10)25-16(29)9-32-13/h4-6,11H,1-3,7-9H2,(H2,23,28)(H,24,31)(H,25,29)(H,26,27,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP2 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM27878
(13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...)Show SMILES NC(=O)CC1CCCc2sc3nc([nH]c(=O)c3c12)C(=O)NCc1ccc2OCC(=O)Nc2c1 Show InChI InChI=1S/C22H21N5O5S/c23-15(28)7-11-2-1-3-14-17(11)18-20(30)26-19(27-22(18)33-14)21(31)24-8-10-4-5-13-12(6-10)25-16(29)9-32-13/h4-6,11H,1-3,7-9H2,(H2,23,28)(H,24,31)(H,25,29)(H,26,27,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP1 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM27878
(13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...)Show SMILES NC(=O)CC1CCCc2sc3nc([nH]c(=O)c3c12)C(=O)NCc1ccc2OCC(=O)Nc2c1 Show InChI InChI=1S/C22H21N5O5S/c23-15(28)7-11-2-1-3-14-17(11)18-20(30)26-19(27-22(18)33-14)21(31)24-8-10-4-5-13-12(6-10)25-16(29)9-32-13/h4-6,11H,1-3,7-9H2,(H2,23,28)(H,24,31)(H,25,29)(H,26,27,30) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP14 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM27878
(13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...)Show SMILES NC(=O)CC1CCCc2sc3nc([nH]c(=O)c3c12)C(=O)NCc1ccc2OCC(=O)Nc2c1 Show InChI InChI=1S/C22H21N5O5S/c23-15(28)7-11-2-1-3-14-17(11)18-20(30)26-19(27-22(18)33-14)21(31)24-8-10-4-5-13-12(6-10)25-16(29)9-32-13/h4-6,11H,1-3,7-9H2,(H2,23,28)(H,24,31)(H,25,29)(H,26,27,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP9 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | |
Matrilysin
(Homo sapiens (Human)) | BDBM27878
(13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...)Show SMILES NC(=O)CC1CCCc2sc3nc([nH]c(=O)c3c12)C(=O)NCc1ccc2OCC(=O)Nc2c1 Show InChI InChI=1S/C22H21N5O5S/c23-15(28)7-11-2-1-3-14-17(11)18-20(30)26-19(27-22(18)33-14)21(31)24-8-10-4-5-13-12(6-10)25-16(29)9-32-13/h4-6,11H,1-3,7-9H2,(H2,23,28)(H,24,31)(H,25,29)(H,26,27,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP7 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM27878
(13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...)Show SMILES NC(=O)CC1CCCc2sc3nc([nH]c(=O)c3c12)C(=O)NCc1ccc2OCC(=O)Nc2c1 Show InChI InChI=1S/C22H21N5O5S/c23-15(28)7-11-2-1-3-14-17(11)18-20(30)26-19(27-22(18)33-14)21(31)24-8-10-4-5-13-12(6-10)25-16(29)9-32-13/h4-6,11H,1-3,7-9H2,(H2,23,28)(H,24,31)(H,25,29)(H,26,27,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP12 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50234334
(BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIA...)Show SMILES O=C(OCc1ccccc1)c1cn2c(cc(=O)n(Cc3ccccc3)c2=O)s1 Show InChI InChI=1S/C21H16N2O4S/c24-18-11-19-23(21(26)22(18)12-15-7-3-1-4-8-15)13-17(28-19)20(25)27-14-16-9-5-2-6-10-16/h1-11,13H,12,14H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP14 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50234334
(BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIA...)Show SMILES O=C(OCc1ccccc1)c1cn2c(cc(=O)n(Cc3ccccc3)c2=O)s1 Show InChI InChI=1S/C21H16N2O4S/c24-18-11-19-23(21(26)22(18)12-15-7-3-1-4-8-15)13-17(28-19)20(25)27-14-16-9-5-2-6-10-16/h1-11,13H,12,14H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP12 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50234334
(BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIA...)Show SMILES O=C(OCc1ccccc1)c1cn2c(cc(=O)n(Cc3ccccc3)c2=O)s1 Show InChI InChI=1S/C21H16N2O4S/c24-18-11-19-23(21(26)22(18)12-15-7-3-1-4-8-15)13-17(28-19)20(25)27-14-16-9-5-2-6-10-16/h1-11,13H,12,14H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP8 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-17
(Homo sapiens (Human)) | BDBM50265079
((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...)Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31) | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP17 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50265079
((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...)Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP12 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50234334
(BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIA...)Show SMILES O=C(OCc1ccccc1)c1cn2c(cc(=O)n(Cc3ccccc3)c2=O)s1 Show InChI InChI=1S/C21H16N2O4S/c24-18-11-19-23(21(26)22(18)12-15-7-3-1-4-8-15)13-17(28-19)20(25)27-14-16-9-5-2-6-10-16/h1-11,13H,12,14H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP2 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | |
Matrilysin
(Homo sapiens (Human)) | BDBM50234334
(BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIA...)Show SMILES O=C(OCc1ccccc1)c1cn2c(cc(=O)n(Cc3ccccc3)c2=O)s1 Show InChI InChI=1S/C21H16N2O4S/c24-18-11-19-23(21(26)22(18)12-15-7-3-1-4-8-15)13-17(28-19)20(25)27-14-16-9-5-2-6-10-16/h1-11,13H,12,14H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP7 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50234334
(BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIA...)Show SMILES O=C(OCc1ccccc1)c1cn2c(cc(=O)n(Cc3ccccc3)c2=O)s1 Show InChI InChI=1S/C21H16N2O4S/c24-18-11-19-23(21(26)22(18)12-15-7-3-1-4-8-15)13-17(28-19)20(25)27-14-16-9-5-2-6-10-16/h1-11,13H,12,14H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP3 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50265079
((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...)Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP9 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-17
(Homo sapiens (Human)) | BDBM50234334
(BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIA...)Show SMILES O=C(OCc1ccccc1)c1cn2c(cc(=O)n(Cc3ccccc3)c2=O)s1 Show InChI InChI=1S/C21H16N2O4S/c24-18-11-19-23(21(26)22(18)12-15-7-3-1-4-8-15)13-17(28-19)20(25)27-14-16-9-5-2-6-10-16/h1-11,13H,12,14H2 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP17 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | |
Matrilysin
(Homo sapiens (Human)) | BDBM50265079
((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...)Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP7 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50265079
((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...)Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP1 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50234334
(BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIA...)Show SMILES O=C(OCc1ccccc1)c1cn2c(cc(=O)n(Cc3ccccc3)c2=O)s1 Show InChI InChI=1S/C21H16N2O4S/c24-18-11-19-23(21(26)22(18)12-15-7-3-1-4-8-15)13-17(28-19)20(25)27-14-16-9-5-2-6-10-16/h1-11,13H,12,14H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP1 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50234334
(BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIA...)Show SMILES O=C(OCc1ccccc1)c1cn2c(cc(=O)n(Cc3ccccc3)c2=O)s1 Show InChI InChI=1S/C21H16N2O4S/c24-18-11-19-23(21(26)22(18)12-15-7-3-1-4-8-15)13-17(28-19)20(25)27-14-16-9-5-2-6-10-16/h1-11,13H,12,14H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP9 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50028939
(CHEMBL1231240)Show SMILES OCCC1CCN(CC1)[C@@]1(C(=O)NC(O)=NC1=O)c1ccccc1 |r,c:15| Show InChI InChI=1S/C17H21N3O4/c21-11-8-12-6-9-20(10-7-12)17(13-4-2-1-3-5-13)14(22)18-16(24)19-15(17)23/h1-5,12,21H,6-11H2,(H2,18,19,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP3 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50265079
((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...)Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP14 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50265079
((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...)Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP2 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50265079
((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...)Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP3 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50265079
((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...)Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP8 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | |