Found 33 hits with Last Name = 'courté' and Initial = 'k' 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 |
|---|
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50333940
(4-((4-(4'-acetylbiphenyl-4-yl)-5-fluorothiophene-2...)Show SMILES CC(=O)c1ccc(cc1)-c1ccc(cc1)-c1cc(sc1F)C(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:28.34,wD:25.27,(-8.04,-14.4,;-6.5,-14.37,;-5.76,-13.02,;-5.7,-15.68,;-4.16,-15.65,;-3.36,-16.97,;-4.1,-18.32,;-5.64,-18.35,;-6.44,-17.04,;-3.31,-19.62,;-1.76,-19.59,;-.97,-20.91,;-1.71,-22.26,;-3.25,-22.29,;-4.05,-20.98,;-.92,-23.57,;.62,-23.55,;1.11,-25.02,;-.13,-25.93,;-1.38,-25.04,;-2.84,-25.53,;2.46,-25.77,;2.48,-27.31,;3.78,-24.98,;5.12,-25.73,;6.45,-24.94,;7.79,-25.7,;9.1,-24.91,;9.09,-23.37,;7.74,-22.62,;6.41,-23.41,;10.41,-22.59,;11.76,-23.34,;10.4,-21.04,)| Show InChI InChI=1S/C27H26FNO4S/c1-16(30)18-6-8-19(9-7-18)20-10-12-21(13-11-20)23-14-24(34-25(23)28)26(31)29-15-17-2-4-22(5-3-17)27(32)33/h6-14,17,22H,2-5,15H2,1H3,(H,29,31)(H,32,33)/t17-,22- | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec OAI
Curated by ChEMBL
| Assay Description
Inhibition of MMP-12 catalytic domain |
Bioorg Med Chem Lett 21: 528-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.087
BindingDB Entry DOI: 10.7270/Q2NC61G8 |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50333942
((R)-3-(5-fluoro-4-(4-(pyridin-4-yl)phenyl)thiophen...)Show SMILES OC(=O)C[C@@H](NC(=O)c1cc(c(F)s1)-c1ccc(cc1)-c1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C25H19FN2O3S/c26-24-20(18-8-6-16(7-9-18)17-10-12-27-13-11-17)14-22(32-24)25(31)28-21(15-23(29)30)19-4-2-1-3-5-19/h1-14,21H,15H2,(H,28,31)(H,29,30)/t21-/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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec OAI
Curated by ChEMBL
| Assay Description
Inhibition of MMP-12 catalytic domain |
Bioorg Med Chem Lett 21: 528-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.087
BindingDB Entry DOI: 10.7270/Q2NC61G8 |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50170205
((R)-Phenyl-{[4-(4-pyridin-4-yl-phenyl)-thiophene-2...)Show SMILES OC(=O)[C@H](NC(=O)c1cc(cs1)-c1ccc(cc1)-c1ccncc1)c1ccccc1 Show InChI InChI=1S/C24H18N2O3S/c27-23(26-22(24(28)29)19-4-2-1-3-5-19)21-14-20(15-30-21)17-8-6-16(7-9-17)18-10-12-25-13-11-18/h1-15,22H,(H,26,27)(H,28,29)/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-12 in presence of 5 nM acetohydroximate |
Bioorg Med Chem Lett 15: 3787-90 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.079
BindingDB Entry DOI: 10.7270/Q2736QFM |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50333941
((R)-3-(4-(4'-acetylbiphenyl-4-yl)-5-fluorothiophen...)Show SMILES CC(=O)c1ccc(cc1)-c1ccc(cc1)-c1cc(sc1F)C(=O)N[C@H](CC(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C28H22FNO4S/c1-17(31)18-7-9-19(10-8-18)20-11-13-21(14-12-20)23-15-25(35-27(23)29)28(34)30-24(16-26(32)33)22-5-3-2-4-6-22/h2-15,24H,16H2,1H3,(H,30,34)(H,32,33)/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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec OAI
Curated by ChEMBL
| Assay Description
Inhibition of MMP-12 catalytic domain |
Bioorg Med Chem Lett 21: 528-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.087
BindingDB Entry DOI: 10.7270/Q2NC61G8 |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50170206
(4-(4'-Acetyl-biphenyl-4-yl)-thiophene-2-carboxylic...)Show SMILES CC(=O)c1ccc(cc1)-c1ccc(cc1)-c1csc(c1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C25H26N2O3S/c1-18(28)19-2-4-20(5-3-19)21-6-8-22(9-7-21)23-16-24(31-17-23)25(29)26-10-11-27-12-14-30-15-13-27/h2-9,16-17H,10-15H2,1H3,(H,26,29) | 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 | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-12 in presence of 5 nM acetohydroximate |
Bioorg Med Chem Lett 15: 3787-90 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.079
BindingDB Entry DOI: 10.7270/Q2736QFM |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50170203
((4-Biphenyl-4-yl-thiophene-2-carbonyl)-carbamic ac...)Show SMILES Cc1ccc(COC(=O)NC(=O)c2cc(cs2)-c2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C26H21NO3S/c1-18-7-9-19(10-8-18)16-30-26(29)27-25(28)24-15-23(17-31-24)22-13-11-21(12-14-22)20-5-3-2-4-6-20/h2-15,17H,16H2,1H3,(H,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-12 in presence of 5 nM acetohydroximate |
Bioorg Med Chem Lett 15: 3787-90 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.079
BindingDB Entry DOI: 10.7270/Q2736QFM |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50170207
(CHEMBL180762 | [4-(2'-Hydroxy-biphenyl-4-yl)-thiop...)Show SMILES Cc1ccc(COC(=O)NC(=O)c2cc(cs2)-c2ccc(cc2)-c2ccccc2O)cc1 Show InChI InChI=1S/C26H21NO4S/c1-17-6-8-18(9-7-17)15-31-26(30)27-25(29)24-14-21(16-32-24)19-10-12-20(13-11-19)22-4-2-3-5-23(22)28/h2-14,16,28H,15H2,1H3,(H,27,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-12 in presence of 5 nM acetohydroximate |
Bioorg Med Chem Lett 15: 3787-90 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.079
BindingDB Entry DOI: 10.7270/Q2736QFM |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50333939
((R)-N-(3-amino-3-oxo-1-phenylpropyl)-5-fluoro-4-(4...)Show SMILES NC(=O)C[C@@H](NC(=O)c1cc(c(F)s1)-c1ccc(OC(F)(F)F)cc1)c1ccccc1 |r| Show InChI InChI=1S/C21H16F4N2O3S/c22-19-15(12-6-8-14(9-7-12)30-21(23,24)25)10-17(31-19)20(29)27-16(11-18(26)28)13-4-2-1-3-5-13/h1-10,16H,11H2,(H2,26,28)(H,27,29)/t16-/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 | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec OAI
Curated by ChEMBL
| Assay Description
Inhibition of MMP-12 catalytic domain |
Bioorg Med Chem Lett 21: 528-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.087
BindingDB Entry DOI: 10.7270/Q2NC61G8 |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50170201
(4-(4-Pyridin-4-yl-phenyl)-thiophene-2-carboxylic a...)Show SMILES O=C(NCCN1CCOCC1)c1cc(cs1)-c1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C22H23N3O2S/c26-22(24-9-10-25-11-13-27-14-12-25)21-15-20(16-28-21)18-3-1-17(2-4-18)19-5-7-23-8-6-19/h1-8,15-16H,9-14H2,(H,24,26) | 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 | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-12 |
Bioorg Med Chem Lett 15: 3787-90 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.079
BindingDB Entry DOI: 10.7270/Q2736QFM |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50170201
(4-(4-Pyridin-4-yl-phenyl)-thiophene-2-carboxylic a...)Show SMILES O=C(NCCN1CCOCC1)c1cc(cs1)-c1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C22H23N3O2S/c26-22(24-9-10-25-11-13-27-14-12-25)21-15-20(16-28-21)18-3-1-17(2-4-18)19-5-7-23-8-6-19/h1-8,15-16H,9-14H2,(H,24,26) | 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 | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-12 in presence of 5 nM acetohydroximate |
Bioorg Med Chem Lett 15: 3787-90 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.079
BindingDB Entry DOI: 10.7270/Q2736QFM |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50333937
(CHEMBL1644426 | trans-4-((5-fluoro-4-(4-(trifluoro...)Show SMILES OC(=O)[C@H]1CC[C@H](CNC(=O)c2cc(c(F)s2)-c2ccc(OC(F)(F)F)cc2)CC1 |r,wU:3.2,wD:6.6,(34.59,-15.9,;33.25,-15.15,;33.23,-13.61,;31.92,-15.94,;31.94,-17.48,;30.62,-18.26,;29.28,-17.5,;27.96,-18.29,;26.62,-17.54,;25.29,-18.33,;25.32,-19.87,;23.95,-17.58,;23.46,-16.12,;21.92,-16.14,;21.46,-17.61,;19.99,-18.09,;22.71,-18.5,;21.12,-14.82,;21.87,-13.47,;21.07,-12.16,;19.53,-12.19,;18.73,-10.87,;17.19,-10.91,;16.39,-9.59,;16.45,-12.26,;15.66,-10.75,;18.79,-13.55,;19.59,-14.86,;29.25,-15.97,;30.58,-15.18,)| Show InChI InChI=1S/C20H19F4NO4S/c21-17-15(12-5-7-14(8-6-12)29-20(22,23)24)9-16(30-17)18(26)25-10-11-1-3-13(4-2-11)19(27)28/h5-9,11,13H,1-4,10H2,(H,25,26)(H,27,28)/t11-,13- | 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 | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec OAI
Curated by ChEMBL
| Assay Description
Inhibition of MMP-12 catalytic domain |
Bioorg Med Chem Lett 21: 528-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.087
BindingDB Entry DOI: 10.7270/Q2NC61G8 |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50170211
((R)-Phenyl-{[4-(4-trifluoromethoxy-phenyl)-thiophe...)Show SMILES OC(=O)[C@H](NC(=O)c1cc(cs1)-c1ccc(OC(F)(F)F)cc1)c1ccccc1 Show InChI InChI=1S/C20H14F3NO4S/c21-20(22,23)28-15-8-6-12(7-9-15)14-10-16(29-11-14)18(25)24-17(19(26)27)13-4-2-1-3-5-13/h1-11,17H,(H,24,25)(H,26,27)/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-12 in presence of 5 nM acetohydroximate |
Bioorg Med Chem Lett 15: 3787-90 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.079
BindingDB Entry DOI: 10.7270/Q2736QFM |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50333938
((R)-3-(5-fluoro-4-(4-(trifluoromethoxy)phenyl)thio...)Show SMILES OC(=O)C[C@@H](NC(=O)c1cc(c(F)s1)-c1ccc(OC(F)(F)F)cc1)c1ccccc1 |r| Show InChI InChI=1S/C21H15F4NO4S/c22-19-15(12-6-8-14(9-7-12)30-21(23,24)25)10-17(31-19)20(29)26-16(11-18(27)28)13-4-2-1-3-5-13/h1-10,16H,11H2,(H,26,29)(H,27,28)/t16-/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 |
Evotec OAI
Curated by ChEMBL
| Assay Description
Inhibition of MMP-12 catalytic domain |
Bioorg Med Chem Lett 21: 528-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.087
BindingDB Entry DOI: 10.7270/Q2NC61G8 |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50170202
(4-(4-Methoxy-phenyl)-thiophene-2-carboxylic acid (...)Show InChI InChI=1S/C18H22N2O3S/c1-22-16-4-2-14(3-5-16)15-12-17(24-13-15)18(21)19-6-7-20-8-10-23-11-9-20/h2-5,12-13H,6-11H2,1H3,(H,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-12 in pressence of 5 nM acetohydroximate |
Bioorg Med Chem Lett 15: 3787-90 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.079
BindingDB Entry DOI: 10.7270/Q2736QFM |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50170205
((R)-Phenyl-{[4-(4-pyridin-4-yl-phenyl)-thiophene-2...)Show SMILES OC(=O)[C@H](NC(=O)c1cc(cs1)-c1ccc(cc1)-c1ccncc1)c1ccccc1 Show InChI InChI=1S/C24H18N2O3S/c27-23(26-22(24(28)29)19-4-2-1-3-5-19)21-14-20(15-30-21)17-8-6-16(7-9-17)18-10-12-25-13-11-18/h1-15,22H,(H,26,27)(H,28,29)/t22-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-13 |
Bioorg Med Chem Lett 15: 3787-90 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.079
BindingDB Entry DOI: 10.7270/Q2736QFM |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50170209
(4-Biphenyl-4-yl-thiophene-2-carboxylic acid (2-mor...)Show SMILES O=C(NCCN1CCOCC1)c1cc(cs1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H24N2O2S/c26-23(24-10-11-25-12-14-27-15-13-25)22-16-21(17-28-22)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-9,16-17H,10-15H2,(H,24,26) | 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 |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-12 in presence of 5 nM acetohydroximate |
Bioorg Med Chem Lett 15: 3787-90 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.079
BindingDB Entry DOI: 10.7270/Q2736QFM |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50170212
(CHEMBL181817 | [4-(4-Trifluoromethoxy-phenyl)-thio...)Show SMILES CC1CCC(CC1)OC(=O)NC(=O)c1cc(cs1)-c1ccc(OC(F)(F)F)cc1 |(-6.29,2.13,;-4.9,1.48,;-4.77,-.05,;-3.37,-.73,;-2.11,.16,;-2.24,1.7,;-3.62,2.36,;-.7,-.5,;.56,.37,;.43,1.92,;1.97,-.28,;2.11,-1.83,;.84,-2.72,;3.52,-2.49,;4.87,-1.76,;6,-2.8,;5.34,-4.18,;3.8,-3.98,;7.52,-2.58,;8.08,-1.15,;9.6,-.91,;10.56,-2.11,;12.09,-1.86,;13.06,-3.05,;13.95,-4.15,;12.73,-4.65,;14.67,-3.07,;10.01,-3.54,;8.48,-3.78,)| Show InChI InChI=1S/C20H20F3NO4S/c1-12-2-6-15(7-3-12)27-19(26)24-18(25)17-10-14(11-29-17)13-4-8-16(9-5-13)28-20(21,22)23/h4-5,8-12,15H,2-3,6-7H2,1H3,(H,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-12 in presence of 5 nM acetohydroximate |
Bioorg Med Chem Lett 15: 3787-90 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.079
BindingDB Entry DOI: 10.7270/Q2736QFM |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50333934
(CHEMBL1644423 | trans-4-((4-(4-(trifluoromethoxy)p...)Show SMILES OC(=O)[C@H]1CC[C@H](CNC(=O)c2cc(cs2)-c2ccc(OC(F)(F)F)cc2)CC1 |r,wU:3.2,wD:6.6,(10.39,-2.44,;9.05,-1.69,;9.03,-.15,;7.72,-2.47,;7.74,-4.02,;6.42,-4.8,;5.08,-4.04,;3.76,-4.83,;2.41,-4.08,;1.09,-4.87,;1.11,-6.41,;-.26,-4.12,;-.75,-2.65,;-2.29,-2.68,;-2.75,-4.14,;-1.49,-5.03,;-3.08,-1.36,;-2.34,-.01,;-3.13,1.31,;-4.67,1.27,;-5.47,2.59,;-7.01,2.56,;-7.81,3.87,;-7.75,1.21,;-8.55,2.71,;-5.42,-.08,;-4.61,-1.39,;5.05,-2.51,;6.38,-1.72,)| Show InChI InChI=1S/C20H20F3NO4S/c21-20(22,23)28-16-7-5-13(6-8-16)15-9-17(29-11-15)18(25)24-10-12-1-3-14(4-2-12)19(26)27/h5-9,11-12,14H,1-4,10H2,(H,24,25)(H,26,27)/t12-,14- | 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 |
Evotec OAI
Curated by ChEMBL
| Assay Description
Inhibition of MMP-12 catalytic domain |
Bioorg Med Chem Lett 21: 528-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.087
BindingDB Entry DOI: 10.7270/Q2NC61G8 |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50170210
(CHEMBL367148 | [4-(4-Trifluoromethoxy-phenyl)-thio...)Show SMILES Cc1ccc(COC(=O)NC(=O)c2cc(cs2)-c2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C21H16F3NO4S/c1-13-2-4-14(5-3-13)11-28-20(27)25-19(26)18-10-16(12-30-18)15-6-8-17(9-7-15)29-21(22,23)24/h2-10,12H,11H2,1H3,(H,25,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-12 in presence of 5 nM acetohydroximate |
Bioorg Med Chem Lett 15: 3787-90 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.079
BindingDB Entry DOI: 10.7270/Q2736QFM |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50170208
(4-(4-Cyclohexyl-phenyl)-thiophene-2-carboxylic aci...)Show SMILES O=C(NCCN1CCOCC1)c1cc(cs1)-c1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C23H30N2O2S/c26-23(24-10-11-25-12-14-27-15-13-25)22-16-21(17-28-22)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h6-9,16-18H,1-5,10-15H2,(H,24,26) | 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 | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-12 in presence of 5 nM acetohydroximate |
Bioorg Med Chem Lett 15: 3787-90 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.079
BindingDB Entry DOI: 10.7270/Q2736QFM |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50170203
((4-Biphenyl-4-yl-thiophene-2-carbonyl)-carbamic ac...)Show SMILES Cc1ccc(COC(=O)NC(=O)c2cc(cs2)-c2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C26H21NO3S/c1-18-7-9-19(10-8-18)16-30-26(29)27-25(28)24-15-23(17-31-24)22-13-11-21(12-14-22)20-5-3-2-4-6-20/h2-15,17H,16H2,1H3,(H,27,28,29) | 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 | >1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-13 |
Bioorg Med Chem Lett 15: 3787-90 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.079
BindingDB Entry DOI: 10.7270/Q2736QFM |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50170211
((R)-Phenyl-{[4-(4-trifluoromethoxy-phenyl)-thiophe...)Show SMILES OC(=O)[C@H](NC(=O)c1cc(cs1)-c1ccc(OC(F)(F)F)cc1)c1ccccc1 Show InChI InChI=1S/C20H14F3NO4S/c21-20(22,23)28-15-8-6-12(7-9-15)14-10-16(29-11-14)18(25)24-17(19(26)27)13-4-2-1-3-5-13/h1-11,17H,(H,24,25)(H,26,27)/t17-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-13 |
Bioorg Med Chem Lett 15: 3787-90 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.079
BindingDB Entry DOI: 10.7270/Q2736QFM |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50170207
(CHEMBL180762 | [4-(2'-Hydroxy-biphenyl-4-yl)-thiop...)Show SMILES Cc1ccc(COC(=O)NC(=O)c2cc(cs2)-c2ccc(cc2)-c2ccccc2O)cc1 Show InChI InChI=1S/C26H21NO4S/c1-17-6-8-18(9-7-17)15-31-26(30)27-25(29)24-14-21(16-32-24)19-10-12-20(13-11-19)22-4-2-3-5-23(22)28/h2-14,16,28H,15H2,1H3,(H,27,29,30) | 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 | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-13 |
Bioorg Med Chem Lett 15: 3787-90 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.079
BindingDB Entry DOI: 10.7270/Q2736QFM |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50333935
(CHEMBL1644424 | trans-4-((3-(4-(trifluoromethoxy)p...)Show SMILES OC(=O)[C@H]1CC[C@H](CNC(=O)c2cc(ns2)-c2ccc(OC(F)(F)F)cc2)CC1 |r,wU:3.2,wD:6.6,(32.12,-2.91,;30.78,-2.15,;30.76,-.61,;29.45,-2.94,;29.47,-4.48,;28.15,-5.26,;26.81,-4.51,;25.49,-5.3,;24.14,-4.55,;22.82,-5.34,;22.84,-6.87,;21.47,-4.59,;20.98,-3.12,;19.45,-3.14,;18.98,-4.61,;20.24,-5.5,;18.65,-1.83,;19.39,-.48,;18.6,.84,;17.06,.81,;16.26,2.12,;14.72,2.09,;13.92,3.41,;13.98,.74,;13.18,2.24,;16.32,-.55,;17.12,-1.86,;26.78,-2.97,;28.11,-2.19,)| Show InChI InChI=1S/C19H19F3N2O4S/c20-19(21,22)28-14-7-5-12(6-8-14)15-9-16(29-24-15)17(25)23-10-11-1-3-13(4-2-11)18(26)27/h5-9,11,13H,1-4,10H2,(H,23,25)(H,26,27)/t11-,13- | 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 | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec OAI
Curated by ChEMBL
| Assay Description
Inhibition of MMP-12 catalytic domain |
Bioorg Med Chem Lett 21: 528-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.087
BindingDB Entry DOI: 10.7270/Q2NC61G8 |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50170204
((S)-Phenyl-{[4-(4-trifluoromethoxy-phenyl)-thiophe...)Show SMILES OC(=O)[C@@H](NC(=O)c1cc(cs1)-c1ccc(OC(F)(F)F)cc1)c1ccccc1 Show InChI InChI=1S/C20H14F3NO4S/c21-20(22,23)28-15-8-6-12(7-9-15)14-10-16(29-11-14)18(25)24-17(19(26)27)13-4-2-1-3-5-13/h1-11,17H,(H,24,25)(H,26,27)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-12 in presence of 5 nM acetohydroximate |
Bioorg Med Chem Lett 15: 3787-90 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.079
BindingDB Entry DOI: 10.7270/Q2736QFM |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50170202
(4-(4-Methoxy-phenyl)-thiophene-2-carboxylic acid (...)Show InChI InChI=1S/C18H22N2O3S/c1-22-16-4-2-14(3-5-16)15-12-17(24-13-15)18(21)19-6-7-20-8-10-23-11-9-20/h2-5,12-13H,6-11H2,1H3,(H,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-12 |
Bioorg Med Chem Lett 15: 3787-90 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.079
BindingDB Entry DOI: 10.7270/Q2736QFM |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50170202
(4-(4-Methoxy-phenyl)-thiophene-2-carboxylic acid (...)Show InChI InChI=1S/C18H22N2O3S/c1-22-16-4-2-14(3-5-16)15-12-17(24-13-15)18(21)19-6-7-20-8-10-23-11-9-20/h2-5,12-13H,6-11H2,1H3,(H,19,21) | 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 | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 15: 3787-90 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.079
BindingDB Entry DOI: 10.7270/Q2736QFM |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50170202
(4-(4-Methoxy-phenyl)-thiophene-2-carboxylic acid (...)Show InChI InChI=1S/C18H22N2O3S/c1-22-16-4-2-14(3-5-16)15-12-17(24-13-15)18(21)19-6-7-20-8-10-23-11-9-20/h2-5,12-13H,6-11H2,1H3,(H,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-8 |
Bioorg Med Chem Lett 15: 3787-90 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.079
BindingDB Entry DOI: 10.7270/Q2736QFM |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50170202
(4-(4-Methoxy-phenyl)-thiophene-2-carboxylic acid (...)Show InChI InChI=1S/C18H22N2O3S/c1-22-16-4-2-14(3-5-16)15-12-17(24-13-15)18(21)19-6-7-20-8-10-23-11-9-20/h2-5,12-13H,6-11H2,1H3,(H,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-2 |
Bioorg Med Chem Lett 15: 3787-90 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.079
BindingDB Entry DOI: 10.7270/Q2736QFM |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50333936
(CHEMBL1644425 | trans-4-((5-(4-(trifluoromethoxy)p...)Show SMILES OC(=O)[C@H]1CC[C@H](CNC(=O)c2cc(sn2)-c2ccc(OC(F)(F)F)cc2)CC1 |r,wU:3.2,wD:6.6,(10.57,-14.74,;9.23,-13.99,;9.21,-12.45,;7.9,-14.78,;7.91,-16.32,;6.6,-17.1,;5.26,-16.34,;3.93,-17.13,;2.59,-16.38,;1.27,-17.17,;1.29,-18.71,;-.08,-16.42,;-.57,-14.96,;-2.11,-14.98,;-2.57,-16.45,;-1.32,-17.34,;-2.9,-13.66,;-2.16,-12.31,;-2.95,-11,;-4.5,-11.03,;-5.29,-9.71,;-6.83,-9.75,;-7.63,-8.43,;-7.57,-11.1,;-8.37,-9.6,;-5.24,-12.39,;-4.44,-13.7,;5.22,-14.81,;6.55,-14.02,)| Show InChI InChI=1S/C19H19F3N2O4S/c20-19(21,22)28-14-7-5-12(6-8-14)16-9-15(24-29-16)17(25)23-10-11-1-3-13(4-2-11)18(26)27/h5-9,11,13H,1-4,10H2,(H,23,25)(H,26,27)/t11-,13- | 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 | 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec OAI
Curated by ChEMBL
| Assay Description
Inhibition of MMP-12 catalytic domain |
Bioorg Med Chem Lett 21: 528-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.087
BindingDB Entry DOI: 10.7270/Q2NC61G8 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50170202
(4-(4-Methoxy-phenyl)-thiophene-2-carboxylic acid (...)Show InChI InChI=1S/C18H22N2O3S/c1-22-16-4-2-14(3-5-16)15-12-17(24-13-15)18(21)19-6-7-20-8-10-23-11-9-20/h2-5,12-13H,6-11H2,1H3,(H,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.01E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-1 |
Bioorg Med Chem Lett 15: 3787-90 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.079
BindingDB Entry DOI: 10.7270/Q2736QFM |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50170202
(4-(4-Methoxy-phenyl)-thiophene-2-carboxylic acid (...)Show InChI InChI=1S/C18H22N2O3S/c1-22-16-4-2-14(3-5-16)15-12-17(24-13-15)18(21)19-6-7-20-8-10-23-11-9-20/h2-5,12-13H,6-11H2,1H3,(H,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.01E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-3 |
Bioorg Med Chem Lett 15: 3787-90 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.079
BindingDB Entry DOI: 10.7270/Q2736QFM |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50170202
(4-(4-Methoxy-phenyl)-thiophene-2-carboxylic acid (...)Show InChI InChI=1S/C18H22N2O3S/c1-22-16-4-2-14(3-5-16)15-12-17(24-13-15)18(21)19-6-7-20-8-10-23-11-9-20/h2-5,12-13H,6-11H2,1H3,(H,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.01E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-9 |
Bioorg Med Chem Lett 15: 3787-90 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.079
BindingDB Entry DOI: 10.7270/Q2736QFM |
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Ligand-Target Pair | |
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