Found 49 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)) | BDBM50259007
((R)-2-(4'-((4-isobutyrylphenoxy)methyl)biphenyl-4-...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)C(C)C)cc1)C(O)=O |r| Show InChI InChI=1S/C28H31NO6S/c1-18(2)26(28(31)32)29-36(33,34)25-15-11-22(12-16-25)21-7-5-20(6-8-21)17-35-24-13-9-23(10-14-24)27(30)19(3)4/h5-16,18-19,26,29H,17H2,1-4H3,(H,31,32)/t26-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50259007
((R)-2-(4'-((4-isobutyrylphenoxy)methyl)biphenyl-4-...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)C(C)C)cc1)C(O)=O |r| Show InChI InChI=1S/C28H31NO6S/c1-18(2)26(28(31)32)29-36(33,34)25-15-11-22(12-16-25)21-7-5-20(6-8-21)17-35-24-13-9-23(10-14-24)27(30)19(3)4/h5-16,18-19,26,29H,17H2,1-4H3,(H,31,32)/t26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50259009
((R)-3-methyl-2-(4'-((5-oxo-5,6,7,8-tetrahydronapht...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc3C(=O)CCCc3c2)cc1)C(O)=O |r| Show InChI InChI=1S/C28H29NO6S/c1-18(2)27(28(31)32)29-36(33,34)24-13-10-21(11-14-24)20-8-6-19(7-9-20)17-35-23-12-15-25-22(16-23)4-3-5-26(25)30/h6-16,18,27,29H,3-5,17H2,1-2H3,(H,31,32)/t27-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50258875
((R)-2-(4'-((4-(4-fluorobenzoyl)phenoxy)methyl)biph...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)c2ccc(F)cc2)cc1)C(O)=O |r| Show InChI InChI=1S/C31H28FNO6S/c1-20(2)29(31(35)36)33-40(37,38)28-17-11-23(12-18-28)22-5-3-21(4-6-22)19-39-27-15-9-25(10-16-27)30(34)24-7-13-26(32)14-8-24/h3-18,20,29,33H,19H2,1-2H3,(H,35,36)/t29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50258917
((R)-2-(4'-((4-(cyclohexanecarbonyl)phenoxy)methyl)...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)C2CCCCC2)cc1)C(O)=O |r| Show InChI InChI=1S/C31H35NO6S/c1-21(2)29(31(34)35)32-39(36,37)28-18-14-24(15-19-28)23-10-8-22(9-11-23)20-38-27-16-12-26(13-17-27)30(33)25-6-4-3-5-7-25/h8-19,21,25,29,32H,3-7,20H2,1-2H3,(H,34,35)/t29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50258875
((R)-2-(4'-((4-(4-fluorobenzoyl)phenoxy)methyl)biph...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)c2ccc(F)cc2)cc1)C(O)=O |r| Show InChI InChI=1S/C31H28FNO6S/c1-20(2)29(31(35)36)33-40(37,38)28-17-11-23(12-18-28)22-5-3-21(4-6-22)19-39-27-15-9-25(10-16-27)30(34)24-7-13-26(32)14-8-24/h3-18,20,29,33H,19H2,1-2H3,(H,35,36)/t29-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50259009
((R)-3-methyl-2-(4'-((5-oxo-5,6,7,8-tetrahydronapht...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc3C(=O)CCCc3c2)cc1)C(O)=O |r| Show InChI InChI=1S/C28H29NO6S/c1-18(2)27(28(31)32)29-36(33,34)24-13-10-21(11-14-24)20-8-6-19(7-9-20)17-35-23-12-15-25-22(16-23)4-3-5-26(25)30/h6-16,18,27,29H,3-5,17H2,1-2H3,(H,31,32)/t27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50258917
((R)-2-(4'-((4-(cyclohexanecarbonyl)phenoxy)methyl)...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)C2CCCCC2)cc1)C(O)=O |r| Show InChI InChI=1S/C31H35NO6S/c1-21(2)29(31(34)35)32-39(36,37)28-18-14-24(15-19-28)23-10-8-22(9-11-23)20-38-27-16-12-26(13-17-27)30(33)25-6-4-3-5-7-25/h8-19,21,25,29,32H,3-7,20H2,1-2H3,(H,34,35)/t29-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50258875
((R)-2-(4'-((4-(4-fluorobenzoyl)phenoxy)methyl)biph...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)c2ccc(F)cc2)cc1)C(O)=O |r| Show InChI InChI=1S/C31H28FNO6S/c1-20(2)29(31(35)36)33-40(37,38)28-17-11-23(12-18-28)22-5-3-21(4-6-22)19-39-27-15-9-25(10-16-27)30(34)24-7-13-26(32)14-8-24/h3-18,20,29,33H,19H2,1-2H3,(H,35,36)/t29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50258917
((R)-2-(4'-((4-(cyclohexanecarbonyl)phenoxy)methyl)...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)C2CCCCC2)cc1)C(O)=O |r| Show InChI InChI=1S/C31H35NO6S/c1-21(2)29(31(34)35)32-39(36,37)28-18-14-24(15-19-28)23-10-8-22(9-11-23)20-38-27-16-12-26(13-17-27)30(33)25-6-4-3-5-7-25/h8-19,21,25,29,32H,3-7,20H2,1-2H3,(H,34,35)/t29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50259007
((R)-2-(4'-((4-isobutyrylphenoxy)methyl)biphenyl-4-...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)C(C)C)cc1)C(O)=O |r| Show InChI InChI=1S/C28H31NO6S/c1-18(2)26(28(31)32)29-36(33,34)25-15-11-22(12-16-25)21-7-5-20(6-8-21)17-35-24-13-9-23(10-14-24)27(30)19(3)4/h5-16,18-19,26,29H,17H2,1-4H3,(H,31,32)/t26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50259010
((R)-2-(3-fluoro-4'-((5-oxo-5,6,7,8-tetrahydronapht...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1F)-c1ccc(COc2ccc3C(=O)CCCc3c2)cc1)C(O)=O |r| Show InChI InChI=1S/C28H28FNO6S/c1-17(2)27(28(32)33)30-37(34,35)26-13-10-20(15-24(26)29)19-8-6-18(7-9-19)16-36-22-11-12-23-21(14-22)4-3-5-25(23)31/h6-15,17,27,30H,3-5,16H2,1-2H3,(H,32,33)/t27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50258873
((R)-3-methyl-2-(4'-((3-methylquinolin-2-yloxy)meth...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2nc3ccccc3cc2C)cc1)C(O)=O |r| Show InChI InChI=1S/C28H28N2O5S/c1-18(2)26(28(31)32)30-36(33,34)24-14-12-22(13-15-24)21-10-8-20(9-11-21)17-35-27-19(3)16-23-6-4-5-7-25(23)29-27/h4-16,18,26,30H,17H2,1-3H3,(H,31,32)/t26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50258874
((R)-2-(4'-((2,8-bis(trifluoromethyl)quinolin-3-ylo...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2cc3cccc(c3nc2C(F)(F)F)C(F)(F)F)cc1)C(O)=O |r| Show InChI InChI=1S/C29H24F6N2O5S/c1-16(2)24(27(38)39)37-43(40,41)21-12-10-19(11-13-21)18-8-6-17(7-9-18)15-42-23-14-20-4-3-5-22(28(30,31)32)25(20)36-26(23)29(33,34)35/h3-14,16,24,37H,15H2,1-2H3,(H,38,39)/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50258875
((R)-2-(4'-((4-(4-fluorobenzoyl)phenoxy)methyl)biph...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)c2ccc(F)cc2)cc1)C(O)=O |r| Show InChI InChI=1S/C31H28FNO6S/c1-20(2)29(31(35)36)33-40(37,38)28-17-11-23(12-18-28)22-5-3-21(4-6-22)19-39-27-15-9-25(10-16-27)30(34)24-7-13-26(32)14-8-24/h3-18,20,29,33H,19H2,1-2H3,(H,35,36)/t29-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP14 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50259009
((R)-3-methyl-2-(4'-((5-oxo-5,6,7,8-tetrahydronapht...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc3C(=O)CCCc3c2)cc1)C(O)=O |r| Show InChI InChI=1S/C28H29NO6S/c1-18(2)27(28(31)32)29-36(33,34)24-13-10-21(11-14-24)20-8-6-19(7-9-20)17-35-23-12-15-25-22(16-23)4-3-5-26(25)30/h6-16,18,27,29H,3-5,17H2,1-2H3,(H,31,32)/t27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50259052
((R)-2-(4'-((4-benzoylphenoxy)methyl)biphenyl-4-yls...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)c2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C31H29NO6S/c1-21(2)29(31(34)35)32-39(36,37)28-18-14-24(15-19-28)23-10-8-22(9-11-23)20-38-27-16-12-26(13-17-27)30(33)25-6-4-3-5-7-25/h3-19,21,29,32H,20H2,1-2H3,(H,34,35)/t29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM24040
((2R)-2-({4-[4-(1-benzofuran-2-ylcarbonyloxy)phenyl...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC(=O)c2cc3ccccc3o2)cc1)C(O)=O |r| Show InChI InChI=1S/C26H23NO7S/c1-16(2)24(25(28)29)27-35(31,32)21-13-9-18(10-14-21)17-7-11-20(12-8-17)33-26(30)23-15-19-5-3-4-6-22(19)34-23/h3-16,24,27H,1-2H3,(H,28,29)/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50258872
((R)-3-methyl-2-(4'-((quinolin-2-yloxy)methyl)biphe...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc3ccccc3n2)cc1)C(O)=O |r| Show InChI InChI=1S/C27H26N2O5S/c1-18(2)26(27(30)31)29-35(32,33)23-14-11-21(12-15-23)20-9-7-19(8-10-20)17-34-25-16-13-22-5-3-4-6-24(22)28-25/h3-16,18,26,29H,17H2,1-2H3,(H,30,31)/t26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50259546
((R)-3-methyl-2-(4'-((4-phenoxyphenoxy)methyl)biphe...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(Oc3ccccc3)cc2)cc1)C(O)=O |r| Show InChI InChI=1S/C30H29NO6S/c1-21(2)29(30(32)33)31-38(34,35)28-18-12-24(13-19-28)23-10-8-22(9-11-23)20-36-25-14-16-27(17-15-25)37-26-6-4-3-5-7-26/h3-19,21,29,31H,20H2,1-2H3,(H,32,33)/t29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50259095
((R)-2-(4'-((4-acetylphenoxy)methyl)biphenyl-4-ylsu...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(C)=O)cc1)C(O)=O |r| Show InChI InChI=1S/C26H27NO6S/c1-17(2)25(26(29)30)27-34(31,32)24-14-10-22(11-15-24)21-6-4-19(5-7-21)16-33-23-12-8-20(9-13-23)18(3)28/h4-15,17,25,27H,16H2,1-3H3,(H,29,30)/t25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50259096
((R)-2-(4'-((4-(tert-butoxycarbonylamino)phenoxy)me...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(NC(=O)OC(C)(C)C)cc2)cc1)C(O)=O |r| Show InChI InChI=1S/C29H34N2O7S/c1-19(2)26(27(32)33)31-39(35,36)25-16-10-22(11-17-25)21-8-6-20(7-9-21)18-37-24-14-12-23(13-15-24)30-28(34)38-29(3,4)5/h6-17,19,26,31H,18H2,1-5H3,(H,30,34)(H,32,33)/t26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50259545
((R)-3-methyl-2-(4'-(2-(3-methylbenzofuran-2-yl)ace...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC(=O)Cc2oc3ccccc3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C28H27NO7S/c1-17(2)27(28(31)32)29-37(33,34)22-14-10-20(11-15-22)19-8-12-21(13-9-19)35-26(30)16-25-18(3)23-6-4-5-7-24(23)36-25/h4-15,17,27,29H,16H2,1-3H3,(H,31,32)/t27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50259547
((R)-3-methyl-2-(4'-((4-(6-methylpyridin-2-yloxy)ph...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(Oc3cccc(C)n3)cc2)cc1)C(O)=O |r| Show InChI InChI=1S/C30H30N2O6S/c1-20(2)29(30(33)34)32-39(35,36)27-17-11-24(12-18-27)23-9-7-22(8-10-23)19-37-25-13-15-26(16-14-25)38-28-6-4-5-21(3)31-28/h4-18,20,29,32H,19H2,1-3H3,(H,33,34)/t29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50258871
((R)-3-methyl-2-(4'-((5-(trifluoromethyl)pyridin-2-...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cn2)C(F)(F)F)cc1)C(O)=O |r| Show InChI InChI=1S/C24H23F3N2O5S/c1-15(2)22(23(30)31)29-35(32,33)20-10-7-18(8-11-20)17-5-3-16(4-6-17)14-34-21-12-9-19(13-28-21)24(25,26)27/h3-13,15,22,29H,14H2,1-2H3,(H,30,31)/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50259575
((R)-3-methyl-2-(4'-((4-(pyridin-2-yloxy)phenoxy)me...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(Oc3ccccn3)cc2)cc1)C(O)=O |r| Show InChI InChI=1S/C29H28N2O6S/c1-20(2)28(29(32)33)31-38(34,35)26-16-10-23(11-17-26)22-8-6-21(7-9-22)19-36-24-12-14-25(15-13-24)37-27-5-3-4-18-30-27/h3-18,20,28,31H,19H2,1-2H3,(H,32,33)/t28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50259007
((R)-2-(4'-((4-isobutyrylphenoxy)methyl)biphenyl-4-...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)C(C)C)cc1)C(O)=O |r| Show InChI InChI=1S/C28H31NO6S/c1-18(2)26(28(31)32)29-36(33,34)25-15-11-22(12-16-25)21-7-5-20(6-8-21)17-35-24-13-9-23(10-14-24)27(30)19(3)4/h5-16,18-19,26,29H,17H2,1-4H3,(H,31,32)/t26-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 915 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP14 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50259008
((R)-2-(4'-((3-acetylphenoxy)methyl)biphenyl-4-ylsu...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2cccc(c2)C(C)=O)cc1)C(O)=O |r| Show InChI InChI=1S/C26H27NO6S/c1-17(2)25(26(29)30)27-34(31,32)24-13-11-21(12-14-24)20-9-7-19(8-10-20)16-33-23-6-4-5-22(15-23)18(3)28/h4-15,17,25,27H,16H2,1-3H3,(H,29,30)/t25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50259576
((R)-2-(4'-((3-hydroxyphenoxy)methyl)biphenyl-4-yls...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2cccc(O)c2)cc1)C(O)=O |r| Show InChI InChI=1S/C24H25NO6S/c1-16(2)23(24(27)28)25-32(29,30)22-12-10-19(11-13-22)18-8-6-17(7-9-18)15-31-21-5-3-4-20(26)14-21/h3-14,16,23,25-26H,15H2,1-2H3,(H,27,28)/t23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50259577
((R)-2-(4'-((3-fluorophenoxy)methyl)biphenyl-4-ylsu...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2cccc(F)c2)cc1)C(O)=O |r| Show InChI InChI=1S/C24H24FNO5S/c1-16(2)23(24(27)28)26-32(29,30)22-12-10-19(11-13-22)18-8-6-17(7-9-18)15-31-21-5-3-4-20(25)14-21/h3-14,16,23,26H,15H2,1-2H3,(H,27,28)/t23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50259009
((R)-3-methyl-2-(4'-((5-oxo-5,6,7,8-tetrahydronapht...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc3C(=O)CCCc3c2)cc1)C(O)=O |r| Show InChI InChI=1S/C28H29NO6S/c1-18(2)27(28(31)32)29-36(33,34)24-13-10-21(11-14-24)20-8-6-19(7-9-20)17-35-23-12-15-25-22(16-23)4-3-5-26(25)30/h6-16,18,27,29H,3-5,17H2,1-2H3,(H,31,32)/t27-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.31E+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: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50259608
((R)-2-(4'-((4-methoxyphenoxy)methyl)biphenyl-4-yls...)Show SMILES COc1ccc(OCc2ccc(cc2)-c2ccc(cc2)S(=O)(=O)N[C@H](C(C)C)C(O)=O)cc1 |r| Show InChI InChI=1S/C25H27NO6S/c1-17(2)24(25(27)28)26-33(29,30)23-14-8-20(9-15-23)19-6-4-18(5-7-19)16-32-22-12-10-21(31-3)11-13-22/h4-15,17,24,26H,16H2,1-3H3,(H,27,28)/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50258917
((R)-2-(4'-((4-(cyclohexanecarbonyl)phenoxy)methyl)...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)C2CCCCC2)cc1)C(O)=O |r| Show InChI InChI=1S/C31H35NO6S/c1-21(2)29(31(34)35)32-39(36,37)28-18-14-24(15-19-28)23-10-8-22(9-11-23)20-38-27-16-12-26(13-17-27)30(33)25-6-4-3-5-7-25/h8-19,21,25,29,32H,3-7,20H2,1-2H3,(H,34,35)/t29-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.64E+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: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50259609
((R)-2-(4'-((4-fluorophenoxy)methyl)biphenyl-4-ylsu...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(F)cc2)cc1)C(O)=O |r| Show InChI InChI=1S/C24H24FNO5S/c1-16(2)23(24(27)28)26-32(29,30)22-13-7-19(8-14-22)18-5-3-17(4-6-18)15-31-21-11-9-20(25)10-12-21/h3-14,16,23,26H,15H2,1-2H3,(H,27,28)/t23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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 aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50259578
((R)-2-(4'-((3-methoxyphenoxy)methyl)biphenyl-4-yls...)Show SMILES COc1cccc(OCc2ccc(cc2)-c2ccc(cc2)S(=O)(=O)N[C@H](C(C)C)C(O)=O)c1 |r| Show InChI InChI=1S/C25H27NO6S/c1-17(2)24(25(27)28)26-33(29,30)23-13-11-20(12-14-23)19-9-7-18(8-10-19)16-32-22-6-4-5-21(15-22)31-3/h4-15,17,24,26H,16H2,1-3H3,(H,27,28)/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50259097
((R)-3-methyl-2-(4'-((4-(pyrrolidine-1-carbonyl)phe...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)N2CCCC2)cc1)C(O)=O |r| Show InChI InChI=1S/C29H32N2O6S/c1-20(2)27(29(33)34)30-38(35,36)26-15-11-23(12-16-26)22-7-5-21(6-8-22)19-37-25-13-9-24(10-14-25)28(32)31-17-3-4-18-31/h5-16,20,27,30H,3-4,17-19H2,1-2H3,(H,33,34)/t27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50258917
((R)-2-(4'-((4-(cyclohexanecarbonyl)phenoxy)methyl)...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)C2CCCCC2)cc1)C(O)=O |r| Show InChI InChI=1S/C31H35NO6S/c1-21(2)29(31(34)35)32-39(36,37)28-18-14-24(15-19-28)23-10-8-22(9-11-23)20-38-27-16-12-26(13-17-27)30(33)25-6-4-3-5-7-25/h8-19,21,25,29,32H,3-7,20H2,1-2H3,(H,34,35)/t29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of aggrecanase2 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM24025
((2R)-3-methyl-2-[(4-phenylbenzene)sulfonamido]buta...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C17H19NO4S/c1-12(2)16(17(19)20)18-23(21,22)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,16,18H,1-2H3,(H,19,20)/t16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50259050
((R)-3-methyl-2-(4'-((5-oxo-5,6,7,8-tetrahydronapht...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1C(F)(F)F)-c1ccc(COc2ccc3C(=O)CCCc3c2)cc1)C(O)=O |r| Show InChI InChI=1S/C29H28F3NO6S/c1-17(2)27(28(35)36)33-40(37,38)26-13-10-20(15-24(26)29(30,31)32)19-8-6-18(7-9-19)16-39-22-11-12-23-21(14-22)4-3-5-25(23)34/h6-15,17,27,33H,3-5,16H2,1-2H3,(H,35,36)/t27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50259607
((R)-2-(4'-((3-(dimethylamino)phenoxy)methyl)biphen...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2cccc(c2)N(C)C)cc1)C(O)=O |r| Show InChI InChI=1S/C26H30N2O5S/c1-18(2)25(26(29)30)27-34(31,32)24-14-12-21(13-15-24)20-10-8-19(9-11-20)17-33-23-7-5-6-22(16-23)28(3)4/h5-16,18,25,27H,17H2,1-4H3,(H,29,30)/t25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50259141
((R)-3-methyl-2-(4'-((4-(morpholine-4-carbonyl)phen...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)N2CCOCC2)cc1)C(O)=O |r| Show InChI InChI=1S/C29H32N2O7S/c1-20(2)27(29(33)34)30-39(35,36)26-13-9-23(10-14-26)22-5-3-21(4-6-22)19-38-25-11-7-24(8-12-25)28(32)31-15-17-37-18-16-31/h3-14,20,27,30H,15-19H2,1-2H3,(H,33,34)/t27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50259610
((R)-3-methyl-2-(4'-((4-(morpholinomethyl)phenoxy)m...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(CN3CCOCC3)cc2)cc1)C(O)=O |r| Show InChI InChI=1S/C29H34N2O6S/c1-21(2)28(29(32)33)30-38(34,35)27-13-9-25(10-14-27)24-7-3-23(4-8-24)20-37-26-11-5-22(6-12-26)19-31-15-17-36-18-16-31/h3-14,21,28,30H,15-20H2,1-2H3,(H,32,33)/t28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50259009
((R)-3-methyl-2-(4'-((5-oxo-5,6,7,8-tetrahydronapht...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc3C(=O)CCCc3c2)cc1)C(O)=O |r| Show InChI InChI=1S/C28H29NO6S/c1-18(2)27(28(31)32)29-36(33,34)24-13-10-21(11-14-24)20-8-6-19(7-9-20)17-35-23-12-15-25-22(16-23)4-3-5-26(25)30/h6-16,18,27,29H,3-5,17H2,1-2H3,(H,31,32)/t27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of aggrecanase2 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50259007
((R)-2-(4'-((4-isobutyrylphenoxy)methyl)biphenyl-4-...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)C(C)C)cc1)C(O)=O |r| Show InChI InChI=1S/C28H31NO6S/c1-18(2)26(28(31)32)29-36(33,34)25-15-11-22(12-16-25)21-7-5-20(6-8-21)17-35-24-13-9-23(10-14-24)27(30)19(3)4/h5-16,18-19,26,29H,17H2,1-4H3,(H,31,32)/t26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of aggrecanase2 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50259051
((R)-3-methyl-2-(4'-((5-oxo-5,6,7,8-tetrahydronapht...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1OC(F)(F)F)-c1ccc(COc2ccc3C(=O)CCCc3c2)cc1)C(O)=O |r| Show InChI InChI=1S/C29H28F3NO7S/c1-17(2)27(28(35)36)33-41(37,38)26-13-10-20(15-25(26)40-29(30,31)32)19-8-6-18(7-9-19)16-39-22-11-12-23-21(14-22)4-3-5-24(23)34/h6-15,17,27,33H,3-5,16H2,1-2H3,(H,35,36)/t27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of aggrecanase1 |
Bioorg Med Chem Lett 19: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50259009
((R)-3-methyl-2-(4'-((5-oxo-5,6,7,8-tetrahydronapht...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc3C(=O)CCCc3c2)cc1)C(O)=O |r| Show InChI InChI=1S/C28H29NO6S/c1-18(2)27(28(31)32)29-36(33,34)24-13-10-21(11-14-24)20-8-6-19(7-9-20)17-35-23-12-15-25-22(16-23)4-3-5-26(25)30/h6-16,18,27,29H,3-5,17H2,1-2H3,(H,31,32)/t27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | 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: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50258875
((R)-2-(4'-((4-(4-fluorobenzoyl)phenoxy)methyl)biph...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)c2ccc(F)cc2)cc1)C(O)=O |r| Show InChI InChI=1S/C31H28FNO6S/c1-20(2)29(31(35)36)33-40(37,38)28-17-11-23(12-18-28)22-5-3-21(4-6-22)19-39-27-15-9-25(10-16-27)30(34)24-7-13-26(32)14-8-24/h3-18,20,29,33H,19H2,1-2H3,(H,35,36)/t29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | 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: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50258917
((R)-2-(4'-((4-(cyclohexanecarbonyl)phenoxy)methyl)...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)C2CCCCC2)cc1)C(O)=O |r| Show InChI InChI=1S/C31H35NO6S/c1-21(2)29(31(34)35)32-39(36,37)28-18-14-24(15-19-28)23-10-8-22(9-11-23)20-38-27-16-12-26(13-17-27)30(33)25-6-4-3-5-7-25/h8-19,21,25,29,32H,3-7,20H2,1-2H3,(H,34,35)/t29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | 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: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50259007
((R)-2-(4'-((4-isobutyrylphenoxy)methyl)biphenyl-4-...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)C(C)C)cc1)C(O)=O |r| Show InChI InChI=1S/C28H31NO6S/c1-18(2)26(28(31)32)29-36(33,34)25-15-11-22(12-16-25)21-7-5-20(6-8-21)17-35-24-13-9-23(10-14-24)27(30)19(3)4/h5-16,18-19,26,29H,17H2,1-4H3,(H,31,32)/t26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | 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: 2487-91 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB |
More data for this
Ligand-Target Pair | |
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