Found 38 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Collagenase 3
(Homo sapiens (Human)) | BDBM50194286
(5-(2-ethoxyethyl)-5-(4-(4-(4-(pyridin-3-yl)oxazol-...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3cccnc3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C28H24N4O7/c1-2-36-15-13-28(25(33)31-27(35)32-26(28)34)39-22-11-9-21(10-12-22)38-20-7-5-18(6-8-20)24-30-23(17-37-24)19-4-3-14-29-16-19/h3-12,14,16-17H,2,13,15H2,1H3,(H2,31,32,33,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194306
(5-(2-ethoxyethyl)-5-(4-(4-(4-(3-fluorophenyl)oxazo...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3cccc(F)c3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C29H24FN3O7/c1-2-37-15-14-29(26(34)32-28(36)33-27(29)35)40-23-12-10-22(11-13-23)39-21-8-6-18(7-9-21)25-31-24(17-38-25)19-4-3-5-20(30)16-19/h3-13,16-17H,2,14-15H2,1H3,(H2,32,33,34,35,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.360 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194278
(4-(4-(5-(2-ethoxyethyl)-2,4,6-trioxo-hexahydropyri...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)C(=O)Nc3cccnc3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C26H24N4O7/c1-2-35-15-13-26(23(32)29-25(34)30-24(26)33)37-21-11-9-20(10-12-21)36-19-7-5-17(6-8-19)22(31)28-18-4-3-14-27-16-18/h3-12,14,16H,2,13,15H2,1H3,(H,28,31)(H2,29,30,32,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194292
(5-(2-ethoxyethyl)-5-(4-(4-(4-(pyridin-4-yl)oxazol-...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccncc3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C28H24N4O7/c1-2-36-16-13-28(25(33)31-27(35)32-26(28)34)39-22-9-7-21(8-10-22)38-20-5-3-19(4-6-20)24-30-23(17-37-24)18-11-14-29-15-12-18/h3-12,14-15,17H,2,13,16H2,1H3,(H2,31,32,33,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194301
(4-(2-(4-(4-(5-(2-ethoxyethyl)-2,4,6-trioxo-hexahyd...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccc(cc3)C#N)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C30H24N4O7/c1-2-38-16-15-30(27(35)33-29(37)34-28(30)36)41-24-13-11-23(12-14-24)40-22-9-7-21(8-10-22)26-32-25(18-39-26)20-5-3-19(17-31)4-6-20/h3-14,18H,2,15-16H2,1H3,(H2,33,34,35,36,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194284
(5-(4-(4-(4-(3-fluorophenyl)oxazol-2-yl)phenoxy)phe...)Show SMILES COCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3cccc(F)c3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C28H22FN3O7/c1-36-14-13-28(25(33)31-27(35)32-26(28)34)39-22-11-9-21(10-12-22)38-20-7-5-17(6-8-20)24-30-23(16-37-24)18-3-2-4-19(29)15-18/h2-12,15-16H,13-14H2,1H3,(H2,31,32,33,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194304
(3-(2-(4-(4-(5-(2-ethoxyethyl)-2,4,6-trioxo-hexahyd...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3cccc(c3)C#N)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C30H24N4O7/c1-2-38-15-14-30(27(35)33-29(37)34-28(30)36)41-24-12-10-23(11-13-24)40-22-8-6-20(7-9-22)26-32-25(18-39-26)21-5-3-4-19(16-21)17-31/h3-13,16,18H,2,14-15H2,1H3,(H2,33,34,35,36,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.530 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194297
(5-(2-ethoxyethyl)-5-(4-(4-(3-(pyridin-4-yl)-1,2,4-...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(no3)-c3ccncc3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C27H23N5O7/c1-2-36-16-13-27(24(33)30-26(35)31-25(27)34)38-21-9-7-20(8-10-21)37-19-5-3-18(4-6-19)23-29-22(32-39-23)17-11-14-28-15-12-17/h3-12,14-15H,2,13,16H2,1H3,(H2,30,31,33,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.540 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194290
(5-(4-(4-(4-(4-fluorophenyl)oxazol-2-yl)phenoxy)phe...)Show SMILES COCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccc(F)cc3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C28H22FN3O7/c1-36-15-14-28(25(33)31-27(35)32-26(28)34)39-22-12-10-21(11-13-22)38-20-8-4-18(5-9-20)24-30-23(16-37-24)17-2-6-19(29)7-3-17/h2-13,16H,14-15H2,1H3,(H2,31,32,33,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.570 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194285
(3-(2-(4-(4-(5-(2-methoxyethyl)-2,4,6-trioxo-hexahy...)Show SMILES COCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3cccc(c3)C#N)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C29H22N4O7/c1-37-14-13-29(26(34)32-28(36)33-27(29)35)40-23-11-9-22(10-12-23)39-21-7-5-19(6-8-21)25-31-24(17-38-25)20-4-2-3-18(15-20)16-30/h2-12,15,17H,13-14H2,1H3,(H2,32,33,34,35,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194289
(5-(2-ethoxy-ethyl)-5-(4-{4-[4-(4-fluoro-phenyl)-ox...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccc(F)cc3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C29H24FN3O7/c1-2-37-16-15-29(26(34)32-28(36)33-27(29)35)40-23-13-11-22(12-14-23)39-21-9-5-19(6-10-21)25-31-24(17-38-25)18-3-7-20(30)8-4-18/h3-14,17H,2,15-16H2,1H3,(H2,32,33,34,35,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.680 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194293
(2-(2-(4-(4-(5-(2-methoxyethyl)-2,4,6-trioxo-hexahy...)Show SMILES COCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccccc3C#N)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C29H22N4O7/c1-37-15-14-29(26(34)32-28(36)33-27(29)35)40-22-12-10-21(11-13-22)39-20-8-6-18(7-9-20)25-31-24(17-38-25)23-5-3-2-4-19(23)16-30/h2-13,17H,14-15H2,1H3,(H2,32,33,34,35,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.730 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194311
(4-(4-(5-(2-ethoxyethyl)-2,4,6-trioxo-hexahydropyri...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)C(=O)Nc3ccccc3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C27H25N3O7/c1-2-35-17-16-27(24(32)29-26(34)30-25(27)33)37-22-14-12-21(13-15-22)36-20-10-8-18(9-11-20)23(31)28-19-6-4-3-5-7-19/h3-15H,2,16-17H2,1H3,(H,28,31)(H2,29,30,32,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.840 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194277
(5-(2-ethoxyethyl)-5-(4-(4-(5-phenyl-1,2,4-oxadiazo...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3noc(n3)-c3ccccc3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C28H24N4O7/c1-2-36-17-16-28(25(33)30-27(35)31-26(28)34)38-22-14-12-21(13-15-22)37-20-10-8-18(9-11-20)23-29-24(39-32-23)19-6-4-3-5-7-19/h3-15H,2,16-17H2,1H3,(H2,30,31,33,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.840 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194279
(4-(2-(4-(4-(5-(2-methoxyethyl)-2,4,6-trioxo-hexahy...)Show SMILES COCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccc(cc3)C#N)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C29H22N4O7/c1-37-15-14-29(26(34)32-28(36)33-27(29)35)40-23-12-10-22(11-13-23)39-21-8-6-20(7-9-21)25-31-24(17-38-25)19-4-2-18(16-30)3-5-19/h2-13,17H,14-15H2,1H3,(H2,32,33,34,35,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.840 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194294
(CHEMBL221806 | N-(3-fluorobenzyl)-4-(4-(5-(2-ethox...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)C(=O)NCc3cccc(F)c3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C28H26FN3O7/c1-2-37-15-14-28(25(34)31-27(36)32-26(28)35)39-23-12-10-22(11-13-23)38-21-8-6-19(7-9-21)24(33)30-17-18-4-3-5-20(29)16-18/h3-13,16H,2,14-15,17H2,1H3,(H,30,33)(H2,31,32,34,35,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.850 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194299
(2-(2-(4-(4-(5-(2-ethoxyethyl)-2,4,6-trioxo-hexahyd...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccccc3C#N)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C30H24N4O7/c1-2-38-16-15-30(27(35)33-29(37)34-28(30)36)41-23-13-11-22(12-14-23)40-21-9-7-19(8-10-21)26-32-25(18-39-26)24-6-4-3-5-20(24)17-31/h3-14,18H,2,15-16H2,1H3,(H2,33,34,35,36,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.880 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194302
(5-(2-ethoxyethyl)-5-(4-(4-(4-(2-fluorophenyl)oxazo...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccccc3F)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C29H24FN3O7/c1-2-37-16-15-29(26(34)32-28(36)33-27(29)35)40-21-13-11-20(12-14-21)39-19-9-7-18(8-10-19)25-31-24(17-38-25)22-5-3-4-6-23(22)30/h3-14,17H,2,15-16H2,1H3,(H2,32,33,34,35,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.930 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194282
(5-(2-ethoxyethyl)-5-(4-(4-(3-(pyridin-2-yl)-1,2,4-...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(no3)-c3ccccn3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C27H23N5O7/c1-2-36-16-14-27(24(33)30-26(35)31-25(27)34)38-20-12-10-19(11-13-20)37-18-8-6-17(7-9-18)23-29-22(32-39-23)21-5-3-4-15-28-21/h3-13,15H,2,14,16H2,1H3,(H2,30,31,33,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194288
(5-(2-ethoxyethyl)-5-(4-(4-(4-(pyridin-2-yl)oxazol-...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccccn3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C28H24N4O7/c1-2-36-16-14-28(25(33)31-27(35)32-26(28)34)39-21-12-10-20(11-13-21)38-19-8-6-18(7-9-19)24-30-23(17-37-24)22-5-3-4-15-29-22/h3-13,15,17H,2,14,16H2,1H3,(H2,31,32,33,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194283
(CHEMBL221751 | N-(2-fluorobenzyl)-4-(4-(5-(2-ethox...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)C(=O)NCc3ccccc3F)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C28H26FN3O7/c1-2-37-16-15-28(25(34)31-27(36)32-26(28)35)39-22-13-11-21(12-14-22)38-20-9-7-18(8-10-20)24(33)30-17-19-5-3-4-6-23(19)29/h3-14H,2,15-17H2,1H3,(H,30,33)(H2,31,32,34,35,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194307
(5-(4-(4-(4-(2-fluorophenyl)oxazol-2-yl)phenoxy)phe...)Show SMILES COCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccccc3F)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C28H22FN3O7/c1-36-15-14-28(25(33)31-27(35)32-26(28)34)39-20-12-10-19(11-13-20)38-18-8-6-17(7-9-18)24-30-23(16-37-24)21-4-2-3-5-22(21)29/h2-13,16H,14-15H2,1H3,(H2,31,32,33,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194310
(5-(2-ethoxyethyl)-5-(4-(4-(3-phenylisoxazol-5-yl)p...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3cc(no3)-c3ccccc3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C29H25N3O7/c1-2-36-17-16-29(26(33)30-28(35)31-27(29)34)38-23-14-12-22(13-15-23)37-21-10-8-20(9-11-21)25-18-24(32-39-25)19-6-4-3-5-7-19/h3-15,18H,2,16-17H2,1H3,(H2,30,31,33,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194305
(5-(2-ethoxyethyl)-5-(4-(4-(2-phenyloxazol-5-yl)phe...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3cnc(o3)-c3ccccc3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C29H25N3O7/c1-2-36-17-16-29(26(33)31-28(35)32-27(29)34)39-23-14-12-22(13-15-23)37-21-10-8-19(9-11-21)24-18-30-25(38-24)20-6-4-3-5-7-20/h3-15,18H,2,16-17H2,1H3,(H2,31,32,33,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194308
(5-(2-ethoxyethyl)-5-(4-(4-(3-(pyridin-3-yl)-1,2,4-...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(no3)-c3cccnc3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C27H23N5O7/c1-2-36-15-13-27(24(33)30-26(35)31-25(27)34)38-21-11-9-20(10-12-21)37-19-7-5-17(6-8-19)23-29-22(32-39-23)18-4-3-14-28-16-18/h3-12,14,16H,2,13,15H2,1H3,(H2,30,31,33,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194287
(5-(2-ethoxyethyl)-5-(4-(4-(4-phenyloxazol-2-yl)phe...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccccc3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C29H25N3O7/c1-2-36-17-16-29(26(33)31-28(35)32-27(29)34)39-23-14-12-22(13-15-23)38-21-10-8-20(9-11-21)25-30-24(18-37-25)19-6-4-3-5-7-19/h3-15,18H,2,16-17H2,1H3,(H2,31,32,33,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194291
(4-(4-(5-(2-ethoxyethyl)-2,4,6-trioxo-hexahydropyri...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)C(=O)NCc3cccnc3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C27H26N4O7/c1-2-36-15-13-27(24(33)30-26(35)31-25(27)34)38-22-11-9-21(10-12-22)37-20-7-5-19(6-8-20)23(32)29-17-18-4-3-14-28-16-18/h3-12,14,16H,2,13,15,17H2,1H3,(H,29,32)(H2,30,31,33,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194298
(5-(2-ethoxyethyl)-5-(4-(4-(3-(2-fluorophenyl)-1,2,...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(no3)-c3ccccc3F)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C28H23FN4O7/c1-2-37-16-15-28(25(34)31-27(36)32-26(28)35)39-20-13-11-19(12-14-20)38-18-9-7-17(8-10-18)24-30-23(33-40-24)21-5-3-4-6-22(21)29/h3-14H,2,15-16H2,1H3,(H2,31,32,34,35,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194295
(5-(2-ethoxyethyl)-5-(4-(4-(3-phenyl-1,2,4-oxadiazo...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(no3)-c3ccccc3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C28H24N4O7/c1-2-36-17-16-28(25(33)30-27(35)31-26(28)34)38-22-14-12-21(13-15-22)37-20-10-8-19(9-11-20)24-29-23(32-39-24)18-6-4-3-5-7-18/h3-15H,2,16-17H2,1H3,(H2,30,31,33,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194296
(CHEMBL218118 | N-(4-fluorobenzyl)-4-(4-(5-(2-ethox...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)C(=O)NCc3ccc(F)cc3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C28H26FN3O7/c1-2-37-16-15-28(25(34)31-27(36)32-26(28)35)39-23-13-11-22(12-14-23)38-21-9-5-19(6-10-21)24(33)30-17-18-3-7-20(29)8-4-18/h3-14H,2,15-17H2,1H3,(H,30,33)(H2,31,32,34,35,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194303
(4-(4-(5-(2-ethoxyethyl)-2,4,6-trioxo-hexahydropyri...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)C(=O)Nc3ccccn3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C26H24N4O7/c1-2-35-16-14-26(23(32)29-25(34)30-24(26)33)37-20-12-10-19(11-13-20)36-18-8-6-17(7-9-18)22(31)28-21-5-3-4-15-27-21/h3-13,15H,2,14,16H2,1H3,(H,27,28,31)(H2,29,30,32,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194300
(5-(2-ethoxyethyl)-5-(4-(4-(3-(4-fluorophenyl)-1,2,...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(no3)-c3ccc(F)cc3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C28H23FN4O7/c1-2-37-16-15-28(25(34)31-27(36)32-26(28)35)39-22-13-11-21(12-14-22)38-20-9-5-18(6-10-20)24-30-23(33-40-24)17-3-7-19(29)8-4-17/h3-14H,2,15-16H2,1H3,(H2,31,32,34,35,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194276
(4-(4-(5-(2-ethoxyethyl)-2,4,6-trioxo-hexahydropyri...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)C(=O)NCc3ccccn3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C27H26N4O7/c1-2-36-16-14-27(24(33)30-26(35)31-25(27)34)38-22-12-10-21(11-13-22)37-20-8-6-18(7-9-20)23(32)29-17-19-5-3-4-15-28-19/h3-13,15H,2,14,16-17H2,1H3,(H,29,32)(H2,30,31,33,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194280
(5-(2-ethoxyethyl)-5-(4-(4-(5-phenyloxazol-2-yl)phe...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3ncc(o3)-c3ccccc3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C29H25N3O7/c1-2-36-17-16-29(26(33)31-28(35)32-27(29)34)39-23-14-12-22(13-15-23)37-21-10-8-20(9-11-21)25-30-18-24(38-25)19-6-4-3-5-7-19/h3-15,18H,2,16-17H2,1H3,(H2,31,32,33,34,35) | 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 | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194309
(5-(2-ethoxyethyl)-5-(4-(4-(3-(3-fluorophenyl)-1,2,...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(no3)-c3cccc(F)c3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C28H23FN4O7/c1-2-37-15-14-28(25(34)31-27(36)32-26(28)35)39-22-12-10-21(11-13-22)38-20-8-6-17(7-9-20)24-30-23(33-40-24)18-4-3-5-19(29)16-18/h3-13,16H,2,14-15H2,1H3,(H2,31,32,34,35,36) | 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 | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194281
(CHEMBL374364 | N-benzyl-4-(4-(5-(2-ethoxyethyl)-2,...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)C(=O)NCc3ccccc3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C28H27N3O7/c1-2-36-17-16-28(25(33)30-27(35)31-26(28)34)38-23-14-12-22(13-15-23)37-21-10-8-20(9-11-21)24(32)29-18-19-6-4-3-5-7-19/h3-15H,2,16-18H2,1H3,(H,29,32)(H2,30,31,33,34,35) | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50194312
(5-(2-ethoxyethyl)-5-(4-(4-(5-phenyl-1,3,4-oxadiazo...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nnc(o3)-c3ccccc3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C28H24N4O7/c1-2-36-17-16-28(25(33)29-27(35)30-26(28)34)39-22-14-12-21(13-15-22)37-20-10-8-19(9-11-20)24-32-31-23(38-24)18-6-4-3-5-7-18/h3-15H,2,16-17H2,1H3,(H2,29,30,33,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Rattus norvegicus) | BDBM50194279
(4-(2-(4-(4-(5-(2-methoxyethyl)-2,4,6-trioxo-hexahy...)Show SMILES COCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccc(cc3)C#N)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C29H22N4O7/c1-37-15-14-29(26(34)32-28(36)33-27(29)35)40-23-12-10-22(11-13-23)39-21-8-6-20(7-9-21)25-31-24(17-38-25)19-4-2-18(16-30)3-5-19/h2-13,17H,14-15H2,1H3,(H2,32,33,34,35,36) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 in rat plasma |
Bioorg Med Chem Lett 16: 5822-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R |
More data for this
Ligand-Target Pair | |
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