Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50021453 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)) | BDBM50224846
(4-(2-{4-[5-(6,8,10-trioxo-1,7,9-triaza-spiro[4.5]d...)Show SMILES O=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccc(cc3)C#N)nc2)C(=O)N1 Show InChI InChI=1S/C28H20N6O5/c29-14-17-2-4-18(5-3-17)22-16-38-24(31-22)19-6-9-21(10-7-19)39-23-11-8-20(15-30-23)34-13-1-12-28(34)25(35)32-27(37)33-26(28)36/h2-11,15-16H,1,12-13H2,(H2,32,33,35,36,37) | 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 | 0.0500 | 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 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50224838
(1-{6-[4-(6-fluoro-1H-benzoimidazol-2-yl)-phenoxy]-...)Show SMILES Fc1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C25H19FN6O4/c26-15-4-8-18-19(12-15)29-21(28-18)14-2-6-17(7-3-14)36-20-9-5-16(13-27-20)32-11-1-10-25(32)22(33)30-24(35)31-23(25)34/h2-9,12-13H,1,10-11H2,(H,28,29)(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 | 0.0800 | 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 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50224842
(1-(6-{4-[4-(3-fluoro-phenyl)-oxazol-2-yl]-phenoxy}...)Show SMILES Fc1cccc(c1)-c1coc(n1)-c1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C27H20FN5O5/c28-18-4-1-3-17(13-18)21-15-37-23(30-21)16-5-8-20(9-6-16)38-22-10-7-19(14-29-22)33-12-2-11-27(33)24(34)31-26(36)32-25(27)35/h1,3-10,13-15H,2,11-12H2,(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
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0900 | 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 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50224852
(1-{6-[4-(6-chloro-1H-benzoimidazol-2-yl)-phenoxy]-...)Show SMILES Clc1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C25H19ClN6O4/c26-15-4-8-18-19(12-15)29-21(28-18)14-2-6-17(7-3-14)36-20-9-5-16(13-27-20)32-11-1-10-25(32)22(33)30-24(35)31-23(25)34/h2-9,12-13H,1,10-11H2,(H,28,29)(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 | 0.100 | 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 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50224856
(1-{6-[4-(1H-benzoimidazol-2-yl)-phenoxy]-pyridin-3...)Show SMILES O=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(cc3)-c3nc4ccccc4[nH]3)nc2)C(=O)N1 Show InChI InChI=1S/C25H20N6O4/c32-22-25(23(33)30-24(34)29-22)12-3-13-31(25)16-8-11-20(26-14-16)35-17-9-6-15(7-10-17)21-27-18-4-1-2-5-19(18)28-21/h1-2,4-11,14H,3,12-13H2,(H,27,28)(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 | 0.110 | 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 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50224847
(3-(2-{4-[5-(6,8,10-trioxo-1,7,9-triaza-spiro[4.5]d...)Show SMILES O=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(cc3)-c3nc(co3)-c3cccc(c3)C#N)nc2)C(=O)N1 Show InChI InChI=1S/C28H20N6O5/c29-14-17-3-1-4-19(13-17)22-16-38-24(31-22)18-5-8-21(9-6-18)39-23-10-7-20(15-30-23)34-12-2-11-28(34)25(35)32-27(37)33-26(28)36/h1,3-10,13,15-16H,2,11-12H2,(H2,32,33,35,36,37) | 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 | 0.110 | 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 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50224837
(1-(6-{4-[4-(4-fluoro-phenyl)-oxazol-2-yl]-phenoxy}...)Show SMILES Fc1ccc(cc1)-c1coc(n1)-c1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C27H20FN5O5/c28-18-6-2-16(3-7-18)21-15-37-23(30-21)17-4-9-20(10-5-17)38-22-11-8-19(14-29-22)33-13-1-12-27(33)24(34)31-26(36)32-25(27)35/h2-11,14-15H,1,12-13H2,(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
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.120 | 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 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50224857
(1-(6-{4-[4-(2-fluoro-phenyl)-oxazol-2-yl]-phenoxy}...)Show SMILES Fc1ccccc1-c1coc(n1)-c1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C27H20FN5O5/c28-20-5-2-1-4-19(20)21-15-37-23(30-21)16-6-9-18(10-7-16)38-22-11-8-17(14-29-22)33-13-3-12-27(33)24(34)31-26(36)32-25(27)35/h1-2,4-11,14-15H,3,12-13H2,(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
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.160 | 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 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
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 | 0.350 | 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 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50224845
(5-(2-ethoxyethyl)-5-(4-(4-(6-fluoro-1H-benzo[d]imi...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc4ccc(F)cc4[nH]3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C27H23FN4O6/c1-2-36-14-13-27(24(33)31-26(35)32-25(27)34)38-20-10-8-19(9-11-20)37-18-6-3-16(4-7-18)23-29-21-12-5-17(28)15-22(21)30-23/h3-12,15H,2,13-14H2,1H3,(H,29,30)(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 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
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 | 0.430 | 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 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50224853
(5-(4-(4-(1H-benzo[d]imidazol-2-yl)phenoxy)phenoxy)...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc4ccccc4[nH]3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C27H24N4O6/c1-2-35-16-15-27(24(32)30-26(34)31-25(27)33)37-20-13-11-19(12-14-20)36-18-9-7-17(8-10-18)23-28-21-5-3-4-6-22(21)29-23/h3-14H,2,15-16H2,1H3,(H,28,29)(H2,30,31,32,33,34) | 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 | 0.490 | 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 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
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 | 0.520 | 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 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50224849
(1-[6-(4-bromo-phenoxy)-pyridin-3-yl]-1,7,9-triaza-...)Show SMILES Brc1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C18H15BrN4O4/c19-11-2-5-13(6-3-11)27-14-7-4-12(10-20-14)23-9-1-8-18(23)15(24)21-17(26)22-16(18)25/h2-7,10H,1,8-9H2,(H2,21,22,24,25,26) | 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 | 0.600 | 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 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50224854
(5-(2-ethoxyethyl)-5-[4-(4-fluorophenoxy)phenoxy]ba...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(F)cc3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C20H19FN2O6/c1-2-27-12-11-20(17(24)22-19(26)23-18(20)25)29-16-9-7-15(8-10-16)28-14-5-3-13(21)4-6-14/h3-10H,2,11-12H2,1H3,(H2,22,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 0.600 | 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 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
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 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50224839
(5-(4-(4-(6-chloro-1H-benzo[d]imidazol-2-yl)phenoxy...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc4ccc(Cl)cc4[nH]3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C27H23ClN4O6/c1-2-36-14-13-27(24(33)31-26(35)32-25(27)34)38-20-10-8-19(9-11-20)37-18-6-3-16(4-7-18)23-29-21-12-5-17(28)15-22(21)30-23/h3-12,15H,2,13-14H2,1H3,(H,29,30)(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 | 0.960 | 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 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50224844
(1-[6-(4-fluoro-phenoxy)-pyridin-3-yl]-1,7,9-triaza...)Show SMILES Fc1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C18H15FN4O4/c19-11-2-5-13(6-3-11)27-14-7-4-12(10-20-14)23-9-1-8-18(23)15(24)21-17(26)22-16(18)25/h2-7,10H,1,8-9H2,(H2,21,22,24,25,26) | 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 | 1.57 | 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 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50224844
(1-[6-(4-fluoro-phenoxy)-pyridin-3-yl]-1,7,9-triaza...)Show SMILES Fc1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C18H15FN4O4/c19-11-2-5-13(6-3-11)27-14-7-4-12(10-20-14)23-9-1-8-18(23)15(24)21-17(26)22-16(18)25/h2-7,10H,1,8-9H2,(H2,21,22,24,25,26) | 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 | 1.60 | 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 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50224851
(5-(2-ethoxyethyl)-5-(6-(4-fluorophenoxy)pyridin-3-...)Show SMILES CCOCCC1(Nc2ccc(Oc3ccc(F)cc3)nc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C19H19FN4O5/c1-2-28-10-9-19(16(25)22-18(27)23-17(19)26)24-13-5-8-15(21-11-13)29-14-6-3-12(20)4-7-14/h3-8,11,24H,2,9-10H2,1H3,(H2,22,23,25,26,27) | 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 | 2.90 | 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 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50224850
(1-[6-(4-fluoro-phenoxy)-pyridin-3-yl]-1,7,9-triaza...)Show SMILES Fc1ccc(Oc2ccc(cn2)N2C(=O)CCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C18H13FN4O5/c19-10-1-4-12(5-2-10)28-13-6-3-11(9-20-13)23-14(24)7-8-18(23)15(25)21-17(27)22-16(18)26/h1-6,9H,7-8H2,(H2,21,22,25,26,27) | 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 | 3.49 | 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 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50224843
(1-[6-(4-fluoro-phenoxy)-pyridin-3-yl]-3,3-dimethyl...)Show SMILES CC1(C)CC2(N(C1=O)c1ccc(Oc3ccc(F)cc3)nc1)C(=O)NC(=O)NC2=O Show InChI InChI=1S/C20H17FN4O5/c1-19(2)10-20(15(26)23-18(29)24-16(20)27)25(17(19)28)12-5-8-14(22-9-12)30-13-6-3-11(21)4-7-13/h3-9H,10H2,1-2H3,(H2,23,24,26,27,29) | 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 | 7.33 | 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 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50224858
(5-(2-ethoxyethyl)-5-(6-(4-fluorophenoxy)pyridin-3-...)Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(F)cc3)nc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C19H18FN3O6/c1-2-27-10-9-19(16(24)22-18(26)23-17(19)25)29-14-7-8-15(21-11-14)28-13-5-3-12(20)4-6-13/h3-8,11H,2,9-10H2,1H3,(H2,22,23,24,25,26) | 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 | 8.90 | 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 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50224848
(1-[6-(4-fluoro-phenoxy)-pyridin-3-yl]-1,8,10-triaz...)Show SMILES Fc1ccc(Oc2ccc(cn2)N2C(=O)CCCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H15FN4O5/c20-11-3-6-13(7-4-11)29-14-8-5-12(10-21-14)24-15(25)2-1-9-19(24)16(26)22-18(28)23-17(19)27/h3-8,10H,1-2,9H2,(H2,22,23,26,27,28) | 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 | 11.7 | 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 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50224837
(1-(6-{4-[4-(4-fluoro-phenyl)-oxazol-2-yl]-phenoxy}...)Show SMILES Fc1ccc(cc1)-c1coc(n1)-c1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C27H20FN5O5/c28-18-6-2-16(3-7-18)21-15-37-23(30-21)17-4-9-20(10-5-17)38-22-11-8-19(14-29-22)33-13-1-12-27(33)24(34)31-26(36)32-25(27)35/h2-11,14-15H,1,12-13H2,(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
Patents
Similars
| 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-mediated bovine nasal cartilage degradation assessed as hydroxyprole release |
Bioorg Med Chem Lett 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50224855
(1-[6-(4-fluoro-phenoxy)-pyridin-3-yl]-3-methyl-1,3...)Show SMILES CN1CC2(N(C1=O)c1ccc(Oc3ccc(F)cc3)nc1)C(=O)NC(=O)NC2=O Show InChI InChI=1S/C18H14FN5O5/c1-23-9-18(14(25)21-16(27)22-15(18)26)24(17(23)28)11-4-7-13(20-8-11)29-12-5-2-10(19)3-6-12/h2-8H,9H2,1H3,(H2,21,22,25,26,27) | 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 | 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 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50224841
(1-[6-(4-fluoro-phenoxy)-pyridin-3-yl]-1,3,7,9-tetr...)Show SMILES Fc1ccc(Oc2ccc(cn2)N2C(=O)NCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C17H12FN5O5/c18-9-1-4-11(5-2-9)28-12-6-3-10(7-19-12)23-16(27)20-8-17(23)13(24)21-15(26)22-14(17)25/h1-7H,8H2,(H,20,27)(H2,21,22,24,25,26) | 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 | 15.1 | 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 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50224840
(1-[6-(4-fluoro-phenoxy)-pyridin-3-yl]-2,2-dioxo-2l...)Show SMILES Fc1ccc(Oc2ccc(cn2)N2C3(CCS2(=O)=O)C(=O)NC(=O)NC3=O)cc1 Show InChI InChI=1S/C17H13FN4O6S/c18-10-1-4-12(5-2-10)28-13-6-3-11(9-19-13)22-17(7-8-29(22,26)27)14(23)20-16(25)21-15(17)24/h1-6,9H,7-8H2,(H2,20,21,23,24,25) | 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 | 138 | 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 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
More data for this
Ligand-Target Pair | |
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