Found 59 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 |
|---|
Collagenase 3
(Homo sapiens (Human)) | BDBM50173223
((S)-2-(4'-(5-bromo-4-methoxy-3-methylbenzofuran-2-...)Show SMILES COc1c(Br)ccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12 Show InChI InChI=1S/C28H27BrN2O7S/c1-15(2)24(28(33)34)31-39(35,36)20-11-7-18(8-12-20)17-5-9-19(10-6-17)30-27(32)25-16(3)23-22(38-25)14-13-21(29)26(23)37-4/h5-15,24,31H,1-4H3,(H,30,32)(H,33,34)/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50297236
((S)-2-(4'-(4-ethyl-3-methylbenzofuran-2-carboxamid...)Show SMILES CCc1cccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12 |r| Show InChI InChI=1S/C29H30N2O6S/c1-5-19-7-6-8-24-25(19)18(4)27(37-24)28(32)30-22-13-9-20(10-14-22)21-11-15-23(16-12-21)38(35,36)31-26(17(2)3)29(33)34/h6-17,26,31H,5H2,1-4H3,(H,30,32)(H,33,34)/t26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM28485
((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3ccccc3o2)cc1)C(O)=O |r| Show InChI InChI=1S/C26H24N2O6S/c1-16(2)24(26(30)31)28-35(32,33)21-13-9-18(10-14-21)17-7-11-20(12-8-17)27-25(29)23-15-19-5-3-4-6-22(19)34-23/h3-16,24,28H,1-2H3,(H,27,29)(H,30,31)/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Collagenase 3
(Homo sapiens (Human)) | BDBM50297239
((S)-2-(4'-(4-cyano-3-methylbenzofuran-2-carboxamid...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(C#N)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C28H25N3O6S/c1-16(2)25(28(33)34)31-38(35,36)22-13-9-19(10-14-22)18-7-11-21(12-8-18)30-27(32)26-17(3)24-20(15-29)5-4-6-23(24)37-26/h4-14,16,25,31H,1-3H3,(H,30,32)(H,33,34)/t25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50297229
((S)-2-(4'-(4-amino-3-methylbenzofuran-2-carboxamid...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(N)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C27H27N3O6S/c1-15(2)24(27(32)33)30-37(34,35)20-13-9-18(10-14-20)17-7-11-19(12-8-17)29-26(31)25-16(3)23-21(28)5-4-6-22(23)36-25/h4-15,24,30H,28H2,1-3H3,(H,29,31)(H,32,33)/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50297235
((S)-2-(4'-(3,4-dimethylbenzofuran-2-carboxamido)bi...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(C)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C28H28N2O6S/c1-16(2)25(28(32)33)30-37(34,35)22-14-10-20(11-15-22)19-8-12-21(13-9-19)29-27(31)26-18(4)24-17(3)6-5-7-23(24)36-26/h5-16,25,30H,1-4H3,(H,29,31)(H,32,33)/t25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM28485
((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3ccccc3o2)cc1)C(O)=O |r| Show InChI InChI=1S/C26H24N2O6S/c1-16(2)24(26(30)31)28-35(32,33)21-13-9-18(10-14-21)17-7-11-20(12-8-17)27-25(29)23-15-19-5-3-4-6-22(19)34-23/h3-16,24,28H,1-2H3,(H,27,29)(H,30,31)/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50297240
((S)-2-(4'-(4-ethynyl-3-methylbenzofuran-2-carboxam...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(C#C)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C29H26N2O6S/c1-5-19-7-6-8-24-25(19)18(4)27(37-24)28(32)30-22-13-9-20(10-14-22)21-11-15-23(16-12-21)38(35,36)31-26(17(2)3)29(33)34/h1,6-17,26,31H,2-4H3,(H,30,32)(H,33,34)/t26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50297225
((S)-2-(4'-(4-hydroxy-3-methylbenzofuran-2-carboxam...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(O)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C27H26N2O7S/c1-15(2)24(27(32)33)29-37(34,35)20-13-9-18(10-14-20)17-7-11-19(12-8-17)28-26(31)25-16(3)23-21(30)5-4-6-22(23)36-25/h4-15,24,29-30H,1-3H3,(H,28,31)(H,32,33)/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50297243
((S)-2-(4'-(4-(furan-3-yl)-3-methylbenzofuran-2-car...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(-c4ccoc4)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C31H28N2O7S/c1-18(2)28(31(35)36)33-41(37,38)24-13-9-21(10-14-24)20-7-11-23(12-8-20)32-30(34)29-19(3)27-25(22-15-16-39-17-22)5-4-6-26(27)40-29/h4-18,28,33H,1-3H3,(H,32,34)(H,35,36)/t28-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50297231
((S)-2-(4'-(4-(dimethylamino)-3-methylbenzofuran-2-...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(N(C)C)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C29H31N3O6S/c1-17(2)26(29(34)35)31-39(36,37)22-15-11-20(12-16-22)19-9-13-21(14-10-19)30-28(33)27-18(3)25-23(32(4)5)7-6-8-24(25)38-27/h6-17,26,31H,1-5H3,(H,30,33)(H,34,35)/t26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50297237
((S)-2-(4'-(4-(3-hydroxypropyl)-3-methylbenzofuran-...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(CCCO)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C30H32N2O7S/c1-18(2)27(30(35)36)32-40(37,38)24-15-11-21(12-16-24)20-9-13-23(14-10-20)31-29(34)28-19(3)26-22(7-5-17-33)6-4-8-25(26)39-28/h4,6,8-16,18,27,32-33H,5,7,17H2,1-3H3,(H,31,34)(H,35,36)/t27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50297226
((S)-2-(4'-(4-ethoxy-3-methylbenzofuran-2-carboxami...)Show SMILES CCOc1cccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12 |r| Show InChI InChI=1S/C29H30N2O7S/c1-5-37-23-7-6-8-24-25(23)18(4)27(38-24)28(32)30-21-13-9-19(10-14-21)20-11-15-22(16-12-20)39(35,36)31-26(17(2)3)29(33)34/h6-17,26,31H,5H2,1-4H3,(H,30,32)(H,33,34)/t26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50297230
((S)-3-methyl-2-(4'-(3-methyl-4-(methylamino)benzof...)Show SMILES CNc1cccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12 |r| Show InChI InChI=1S/C28H29N3O6S/c1-16(2)25(28(33)34)31-38(35,36)21-14-10-19(11-15-21)18-8-12-20(13-9-18)30-27(32)26-17(3)24-22(29-4)6-5-7-23(24)37-26/h5-16,25,29,31H,1-4H3,(H,30,32)(H,33,34)/t25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50297241
((S)-3-methyl-2-(4'-(3-methyl-4-(prop-1-ynyl)benzof...)Show SMILES CC#Cc1cccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12 |r| Show InChI InChI=1S/C30H28N2O6S/c1-5-7-22-8-6-9-25-26(22)19(4)28(38-25)29(33)31-23-14-10-20(11-15-23)21-12-16-24(17-13-21)39(36,37)32-27(18(2)3)30(34)35/h6,8-18,27,32H,1-4H3,(H,31,33)(H,34,35)/t27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50173227
((S)-2-(4'-(4-methoxy-3-methylbenzofuran-2-carboxam...)Show SMILES COc1cccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12 Show InChI InChI=1S/C28H28N2O7S/c1-16(2)25(28(32)33)30-38(34,35)21-14-10-19(11-15-21)18-8-12-20(13-9-18)29-27(31)26-17(3)24-22(36-4)6-5-7-23(24)37-26/h5-16,25,30H,1-4H3,(H,29,31)(H,32,33)/t25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50297238
((S)-2-(4'-(4-(3-methoxypropyl)-3-methylbenzofuran-...)Show SMILES COCCCc1cccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12 |r| Show InChI InChI=1S/C31H34N2O7S/c1-19(2)28(31(35)36)33-41(37,38)25-16-12-22(13-17-25)21-10-14-24(15-11-21)32-30(34)29-20(3)27-23(8-6-18-39-4)7-5-9-26(27)40-29/h5,7,9-17,19,28,33H,6,8,18H2,1-4H3,(H,32,34)(H,35,36)/t28-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50297246
((2S,3R)-3-hydroxy-2-(4'-(4-(methylsulfonamido)benz...)Show SMILES CC(O)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3c(NS(C)(=O)=O)cccc3o2)cc1)C(O)=O |r| Show InChI InChI=1S/C26H25N3O9S2/c1-15(30)24(26(32)33)29-40(36,37)19-12-8-17(9-13-19)16-6-10-18(11-7-16)27-25(31)23-14-20-21(28-39(2,34)35)4-3-5-22(20)38-23/h3-15,24,28-30H,1-2H3,(H,27,31)(H,32,33)/t15?,24-/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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50297233
((S)-3-methyl-2-(4'-(3-methyl-4-(methylsulfonamido)...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(NS(C)(=O)=O)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C28H29N3O8S2/c1-16(2)25(28(33)34)31-41(37,38)21-14-10-19(11-15-21)18-8-12-20(13-9-18)29-27(32)26-17(3)24-22(30-40(4,35)36)6-5-7-23(24)39-26/h5-16,25,30-31H,1-4H3,(H,29,32)(H,33,34)/t25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50297244
((S)-2-(4-(5-(4-cyanobenzofuran-2-carboxamido)pyrid...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3c(cccc3o2)C#N)cn1)C(O)=O |r| Show InChI InChI=1S/C26H22N4O6S/c1-15(2)24(26(32)33)30-37(34,35)19-9-6-16(7-10-19)21-11-8-18(14-28-21)29-25(31)23-12-20-17(13-27)4-3-5-22(20)36-23/h3-12,14-15,24,30H,1-2H3,(H,29,31)(H,32,33)/t24-/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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50297242
((S)-3-methyl-2-(4'-(3-methyl-4-phenylbenzofuran-2-...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(-c4ccccc4)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C33H30N2O6S/c1-20(2)30(33(37)38)35-42(39,40)26-18-14-23(15-19-26)22-12-16-25(17-13-22)34-32(36)31-21(3)29-27(10-7-11-28(29)41-31)24-8-5-4-6-9-24/h4-20,30,35H,1-3H3,(H,34,36)(H,37,38)/t30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50297228
((S)-3-methyl-2-(4'-(3-methyl-4-phenoxybenzofuran-2...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(Oc4ccccc4)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C33H30N2O7S/c1-20(2)30(33(37)38)35-43(39,40)26-18-14-23(15-19-26)22-12-16-24(17-13-22)34-32(36)31-21(3)29-27(10-7-11-28(29)42-31)41-25-8-5-4-6-9-25/h4-20,30,35H,1-3H3,(H,34,36)(H,37,38)/t30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50297232
((S)-2-(4'-(4-acetamido-3-methylbenzofuran-2-carbox...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(NC(C)=O)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C29H29N3O7S/c1-16(2)26(29(35)36)32-40(37,38)22-14-10-20(11-15-22)19-8-12-21(13-9-19)31-28(34)27-17(3)25-23(30-18(4)33)6-5-7-24(25)39-27/h5-16,26,32H,1-4H3,(H,30,33)(H,31,34)(H,35,36)/t26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50297227
((S)-2-(4'-(4-(1-methoxy-2-methyl-1-oxopropan-2-ylo...)Show SMILES COC(=O)C(C)(C)Oc1cccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12 |r| Show InChI InChI=1S/C32H34N2O9S/c1-18(2)27(30(36)37)34-44(39,40)23-16-12-21(13-17-23)20-10-14-22(15-11-20)33-29(35)28-19(3)26-24(42-28)8-7-9-25(26)43-32(4,5)31(38)41-6/h7-18,27,34H,1-6H3,(H,33,35)(H,36,37)/t27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50297234
((S)-3-methyl-2-(4'-(3-methyl-4-morpholinobenzofura...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(N4CCOCC4)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C31H33N3O7S/c1-19(2)28(31(36)37)33-42(38,39)24-13-9-22(10-14-24)21-7-11-23(12-8-21)32-30(35)29-20(3)27-25(5-4-6-26(27)41-29)34-15-17-40-18-16-34/h4-14,19,28,33H,15-18H2,1-3H3,(H,32,35)(H,36,37)/t28-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50297247
((2S,3R)-3-hydroxy-2-(4-(5-(4-(methylsulfonamido)be...)Show SMILES CC(O)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3c(NS(C)(=O)=O)cccc3o2)cn1)C(O)=O |r| Show InChI InChI=1S/C25H24N4O9S2/c1-14(30)23(25(32)33)29-40(36,37)17-9-6-15(7-10-17)19-11-8-16(13-26-19)27-24(31)22-12-18-20(28-39(2,34)35)4-3-5-21(18)38-22/h3-14,23,28-30H,1-2H3,(H,27,31)(H,32,33)/t14?,23-/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 | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50297245
((S)-3-methyl-2-(4-(5-(4-(methylsulfonamido)benzofu...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3c(NS(C)(=O)=O)cccc3o2)cn1)C(O)=O |r| Show InChI InChI=1S/C26H26N4O8S2/c1-15(2)24(26(32)33)30-40(36,37)18-10-7-16(8-11-18)20-12-9-17(14-27-20)28-25(31)23-13-19-21(29-39(3,34)35)5-4-6-22(19)38-23/h4-15,24,29-30H,1-3H3,(H,28,31)(H,32,33)/t24-/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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50297229
((S)-2-(4'-(4-amino-3-methylbenzofuran-2-carboxamid...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(N)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C27H27N3O6S/c1-15(2)24(27(32)33)30-37(34,35)20-13-9-18(10-14-20)17-7-11-19(12-8-17)29-26(31)25-16(3)23-21(28)5-4-6-22(23)36-25/h4-15,24,30H,28H2,1-3H3,(H,29,31)(H,32,33)/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 323 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50297225
((S)-2-(4'-(4-hydroxy-3-methylbenzofuran-2-carboxam...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(O)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C27H26N2O7S/c1-15(2)24(27(32)33)29-37(34,35)20-13-9-18(10-14-20)17-7-11-19(12-8-17)28-26(31)25-16(3)23-21(30)5-4-6-22(23)36-25/h4-15,24,29-30H,1-3H3,(H,28,31)(H,32,33)/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 379 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50297239
((S)-2-(4'-(4-cyano-3-methylbenzofuran-2-carboxamid...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(C#N)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C28H25N3O6S/c1-16(2)25(28(33)34)31-38(35,36)22-13-9-19(10-14-22)18-7-11-21(12-8-18)30-27(32)26-17(3)24-20(15-29)5-4-6-23(24)37-26/h4-14,16,25,31H,1-3H3,(H,30,32)(H,33,34)/t25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 581 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50297240
((S)-2-(4'-(4-ethynyl-3-methylbenzofuran-2-carboxam...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(C#C)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C29H26N2O6S/c1-5-19-7-6-8-24-25(19)18(4)27(37-24)28(32)30-22-13-9-20(10-14-22)21-11-15-23(16-12-21)38(35,36)31-26(17(2)3)29(33)34/h1,6-17,26,31H,2-4H3,(H,30,32)(H,33,34)/t26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 595 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50297230
((S)-3-methyl-2-(4'-(3-methyl-4-(methylamino)benzof...)Show SMILES CNc1cccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12 |r| Show InChI InChI=1S/C28H29N3O6S/c1-16(2)25(28(33)34)31-38(35,36)21-14-10-19(11-15-21)18-8-12-20(13-9-18)30-27(32)26-17(3)24-22(29-4)6-5-7-23(24)37-26/h5-16,25,29,31H,1-4H3,(H,30,32)(H,33,34)/t25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 886 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50173227
((S)-2-(4'-(4-methoxy-3-methylbenzofuran-2-carboxam...)Show SMILES COc1cccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12 Show InChI InChI=1S/C28H28N2O7S/c1-16(2)25(28(32)33)30-38(34,35)21-14-10-19(11-15-21)18-8-12-20(13-9-18)29-27(31)26-17(3)24-22(36-4)6-5-7-23(24)37-26/h5-16,25,30H,1-4H3,(H,29,31)(H,32,33)/t25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50297235
((S)-2-(4'-(3,4-dimethylbenzofuran-2-carboxamido)bi...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(C)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C28H28N2O6S/c1-16(2)25(28(32)33)30-37(34,35)22-14-10-20(11-15-22)19-8-12-21(13-9-19)29-27(31)26-18(4)24-17(3)6-5-7-23(24)36-26/h5-16,25,30H,1-4H3,(H,29,31)(H,32,33)/t25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50297236
((S)-2-(4'-(4-ethyl-3-methylbenzofuran-2-carboxamid...)Show SMILES CCc1cccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12 |r| Show InChI InChI=1S/C29H30N2O6S/c1-5-19-7-6-8-24-25(19)18(4)27(37-24)28(32)30-22-13-9-20(10-14-22)21-11-15-23(16-12-21)38(35,36)31-26(17(2)3)29(33)34/h6-17,26,31H,5H2,1-4H3,(H,30,32)(H,33,34)/t26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50297234
((S)-3-methyl-2-(4'-(3-methyl-4-morpholinobenzofura...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(N4CCOCC4)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C31H33N3O7S/c1-19(2)28(31(36)37)33-42(38,39)24-13-9-22(10-14-24)21-7-11-23(12-8-21)32-30(35)29-20(3)27-25(5-4-6-26(27)41-29)34-15-17-40-18-16-34/h4-14,19,28,33H,15-18H2,1-3H3,(H,32,35)(H,36,37)/t28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50173223
((S)-2-(4'-(5-bromo-4-methoxy-3-methylbenzofuran-2-...)Show SMILES COc1c(Br)ccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12 Show InChI InChI=1S/C28H27BrN2O7S/c1-15(2)24(28(33)34)31-39(35,36)20-11-7-18(8-12-20)17-5-9-19(10-6-17)30-27(32)25-16(3)23-22(38-25)14-13-21(29)26(23)37-4/h5-15,24,31H,1-4H3,(H,30,32)(H,33,34)/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50297243
((S)-2-(4'-(4-(furan-3-yl)-3-methylbenzofuran-2-car...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(-c4ccoc4)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C31H28N2O7S/c1-18(2)28(31(35)36)33-41(37,38)24-13-9-21(10-14-24)20-7-11-23(12-8-20)32-30(34)29-19(3)27-25(22-15-16-39-17-22)5-4-6-26(27)40-29/h4-18,28,33H,1-3H3,(H,32,34)(H,35,36)/t28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50297233
((S)-3-methyl-2-(4'-(3-methyl-4-(methylsulfonamido)...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(NS(C)(=O)=O)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C28H29N3O8S2/c1-16(2)25(28(33)34)31-41(37,38)21-14-10-19(11-15-21)18-8-12-20(13-9-18)29-27(32)26-17(3)24-22(30-40(4,35)36)6-5-7-23(24)39-26/h5-16,25,30-31H,1-4H3,(H,29,32)(H,33,34)/t25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50297233
((S)-3-methyl-2-(4'-(3-methyl-4-(methylsulfonamido)...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(NS(C)(=O)=O)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C28H29N3O8S2/c1-16(2)25(28(33)34)31-41(37,38)21-14-10-19(11-15-21)18-8-12-20(13-9-18)29-27(32)26-17(3)24-22(30-40(4,35)36)6-5-7-23(24)39-26/h5-16,25,30-31H,1-4H3,(H,29,32)(H,33,34)/t25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of aggrecanase-1 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50297246
((2S,3R)-3-hydroxy-2-(4'-(4-(methylsulfonamido)benz...)Show SMILES CC(O)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3c(NS(C)(=O)=O)cccc3o2)cc1)C(O)=O |r| Show InChI InChI=1S/C26H25N3O9S2/c1-15(30)24(26(32)33)29-40(36,37)19-12-8-17(9-13-19)16-6-10-18(11-7-16)27-25(31)23-14-20-21(28-39(2,34)35)4-3-5-22(20)38-23/h3-15,24,28-30H,1-2H3,(H,27,31)(H,32,33)/t15?,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50297244
((S)-2-(4-(5-(4-cyanobenzofuran-2-carboxamido)pyrid...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3c(cccc3o2)C#N)cn1)C(O)=O |r| Show InChI InChI=1S/C26H22N4O6S/c1-15(2)24(26(32)33)30-37(34,35)19-9-6-16(7-10-19)21-11-8-18(14-28-21)29-25(31)23-12-20-17(13-27)4-3-5-22(20)36-23/h3-12,14-15,24,30H,1-2H3,(H,29,31)(H,32,33)/t24-/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 | 2.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50297226
((S)-2-(4'-(4-ethoxy-3-methylbenzofuran-2-carboxami...)Show SMILES CCOc1cccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12 |r| Show InChI InChI=1S/C29H30N2O7S/c1-5-37-23-7-6-8-24-25(23)18(4)27(38-24)28(32)30-21-13-9-19(10-14-21)20-11-15-22(16-12-20)39(35,36)31-26(17(2)3)29(33)34/h6-17,26,31H,5H2,1-4H3,(H,30,32)(H,33,34)/t26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50297242
((S)-3-methyl-2-(4'-(3-methyl-4-phenylbenzofuran-2-...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(-c4ccccc4)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C33H30N2O6S/c1-20(2)30(33(37)38)35-42(39,40)26-18-14-23(15-19-26)22-12-16-25(17-13-22)34-32(36)31-21(3)29-27(10-7-11-28(29)41-31)24-8-5-4-6-9-24/h4-20,30,35H,1-3H3,(H,34,36)(H,37,38)/t30-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50297232
((S)-2-(4'-(4-acetamido-3-methylbenzofuran-2-carbox...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(NC(C)=O)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C29H29N3O7S/c1-16(2)26(29(35)36)32-40(37,38)22-14-10-20(11-15-22)19-8-12-21(13-9-19)31-28(34)27-17(3)25-23(30-18(4)33)6-5-7-24(25)39-27/h5-16,26,32H,1-4H3,(H,30,33)(H,31,34)(H,35,36)/t26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50297238
((S)-2-(4'-(4-(3-methoxypropyl)-3-methylbenzofuran-...)Show SMILES COCCCc1cccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12 |r| Show InChI InChI=1S/C31H34N2O7S/c1-19(2)28(31(35)36)33-41(37,38)25-16-12-22(13-17-25)21-10-14-24(15-11-21)32-30(34)29-20(3)27-23(8-6-18-39-4)7-5-9-26(27)40-29/h5,7,9-17,19,28,33H,6,8,18H2,1-4H3,(H,32,34)(H,35,36)/t28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50297237
((S)-2-(4'-(4-(3-hydroxypropyl)-3-methylbenzofuran-...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(CCCO)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C30H32N2O7S/c1-18(2)27(30(35)36)32-40(37,38)24-15-11-21(12-16-24)20-9-13-23(14-10-20)31-29(34)28-19(3)26-22(7-5-17-33)6-4-8-25(26)39-28/h4,6,8-16,18,27,32-33H,5,7,17H2,1-3H3,(H,31,34)(H,35,36)/t27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50297228
((S)-3-methyl-2-(4'-(3-methyl-4-phenoxybenzofuran-2...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(Oc4ccccc4)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C33H30N2O7S/c1-20(2)30(33(37)38)35-43(39,40)26-18-14-23(15-19-26)22-12-16-24(17-13-22)34-32(36)31-21(3)29-27(10-7-11-28(29)42-31)41-25-8-5-4-6-9-25/h4-20,30,35H,1-3H3,(H,34,36)(H,37,38)/t30-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50297231
((S)-2-(4'-(4-(dimethylamino)-3-methylbenzofuran-2-...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(N(C)C)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C29H31N3O6S/c1-17(2)26(29(34)35)31-39(36,37)22-15-11-20(12-16-22)19-9-13-21(14-10-19)30-28(33)27-18(3)25-23(32(4)5)7-6-8-24(25)38-27/h6-17,26,31H,1-5H3,(H,30,33)(H,34,35)/t26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50297239
((S)-2-(4'-(4-cyano-3-methylbenzofuran-2-carboxamid...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(C#N)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C28H25N3O6S/c1-16(2)25(28(33)34)31-38(35,36)22-13-9-19(10-14-22)18-7-11-21(12-8-18)30-27(32)26-17(3)24-20(15-29)5-4-6-23(24)37-26/h4-14,16,25,31H,1-3H3,(H,30,32)(H,33,34)/t25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP14 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50297227
((S)-2-(4'-(4-(1-methoxy-2-methyl-1-oxopropan-2-ylo...)Show SMILES COC(=O)C(C)(C)Oc1cccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12 |r| Show InChI InChI=1S/C32H34N2O9S/c1-18(2)27(30(36)37)34-44(39,40)23-16-12-21(13-17-23)20-10-14-22(15-11-20)33-29(35)28-19(3)26-24(42-28)8-7-9-25(26)43-32(4,5)31(38)41-6/h7-18,27,34H,1-6H3,(H,33,35)(H,36,37)/t27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50297245
((S)-3-methyl-2-(4-(5-(4-(methylsulfonamido)benzofu...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3c(NS(C)(=O)=O)cccc3o2)cn1)C(O)=O |r| Show InChI InChI=1S/C26H26N4O8S2/c1-15(2)24(26(32)33)30-40(36,37)18-10-7-16(8-11-18)20-12-9-17(14-27-20)28-25(31)23-13-19-21(29-39(3,34)35)5-4-6-22(19)38-23/h4-15,24,29-30H,1-3H3,(H,28,31)(H,32,33)/t24-/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 | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50297247
((2S,3R)-3-hydroxy-2-(4-(5-(4-(methylsulfonamido)be...)Show SMILES CC(O)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3c(NS(C)(=O)=O)cccc3o2)cn1)C(O)=O |r| Show InChI InChI=1S/C25H24N4O9S2/c1-14(30)23(25(32)33)29-40(36,37)17-9-6-15(7-10-17)19-11-8-16(13-26-19)27-24(31)22-12-18-20(28-39(2,34)35)4-3-5-21(18)38-22/h3-14,23,28-30H,1-2H3,(H,27,31)(H,32,33)/t14?,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50297239
((S)-2-(4'-(4-cyano-3-methylbenzofuran-2-carboxamid...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(C#N)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C28H25N3O6S/c1-16(2)25(28(33)34)31-38(35,36)22-13-9-19(10-14-22)18-7-11-21(12-8-18)30-27(32)26-17(3)24-20(15-29)5-4-6-23(24)37-26/h4-14,16,25,31H,1-3H3,(H,30,32)(H,33,34)/t25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP9 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50297233
((S)-3-methyl-2-(4'-(3-methyl-4-(methylsulfonamido)...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(NS(C)(=O)=O)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C28H29N3O8S2/c1-16(2)25(28(33)34)31-41(37,38)21-14-10-19(11-15-21)18-8-12-20(13-9-18)29-27(32)26-17(3)24-22(30-40(4,35)36)6-5-7-23(24)39-26/h5-16,25,30-31H,1-4H3,(H,29,32)(H,33,34)/t25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP9 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50297233
((S)-3-methyl-2-(4'-(3-methyl-4-(methylsulfonamido)...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(NS(C)(=O)=O)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C28H29N3O8S2/c1-16(2)25(28(33)34)31-41(37,38)21-14-10-19(11-15-21)18-8-12-20(13-9-18)29-27(32)26-17(3)24-22(30-40(4,35)36)6-5-7-23(24)39-26/h5-16,25,30-31H,1-4H3,(H,29,32)(H,33,34)/t25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP14 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50297233
((S)-3-methyl-2-(4'-(3-methyl-4-(methylsulfonamido)...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(NS(C)(=O)=O)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C28H29N3O8S2/c1-16(2)25(28(33)34)31-41(37,38)21-14-10-19(11-15-21)18-8-12-20(13-9-18)29-27(32)26-17(3)24-22(30-40(4,35)36)6-5-7-23(24)39-26/h5-16,25,30-31H,1-4H3,(H,29,32)(H,33,34)/t25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP1 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50297241
((S)-3-methyl-2-(4'-(3-methyl-4-(prop-1-ynyl)benzof...)Show SMILES CC#Cc1cccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12 |r| Show InChI InChI=1S/C30H28N2O6S/c1-5-7-22-8-6-9-25-26(22)19(4)28(38-25)29(33)31-23-14-10-20(11-15-23)21-12-16-24(17-13-21)39(36,37)32-27(18(2)3)30(34)35/h6,8-18,27,32H,1-4H3,(H,31,33)(H,34,35)/t27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50297239
((S)-2-(4'-(4-cyano-3-methylbenzofuran-2-carboxamid...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(C#N)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C28H25N3O6S/c1-16(2)25(28(33)34)31-38(35,36)22-13-9-19(10-14-22)18-7-11-21(12-8-18)30-27(32)26-17(3)24-20(15-29)5-4-6-23(24)37-26/h4-14,16,25,31H,1-3H3,(H,30,32)(H,33,34)/t25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP1 |
Bioorg Med Chem Lett 19: 4546-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T |
More data for this
Ligand-Target Pair | |
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