Found 93 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 |
|---|
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295489
((S)-2-(8-(Methoxycarbonylamino)dibenzo[b,d]thiophe...)Show SMILES COC(=O)Nc1ccc2sc3cc(ccc3c2c1)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C19H20N2O6S2/c1-10(2)17(18(22)23)21-29(25,26)12-5-6-13-14-8-11(20-19(24)27-3)4-7-15(14)28-16(13)9-12/h4-10,17,21H,1-3H3,(H,20,24)(H,22,23)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50295488
((R)-2-(8-(Methoxycarbonylamino)dibenzo[b,d]thiophe...)Show SMILES COC(=O)Nc1ccc2sc3cc(ccc3c2c1)S(=O)(=O)N[C@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C19H20N2O6S2/c1-10(2)17(18(22)23)21-29(25,26)12-5-6-13-14-8-11(20-19(24)27-3)4-7-15(14)28-16(13)9-12/h4-10,17,21H,1-3H3,(H,20,24)(H,22,23)/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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM28485
((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3ccccc3o2)cc1)C(O)=O |r| Show InChI InChI=1S/C26H24N2O6S/c1-16(2)24(26(30)31)28-35(32,33)21-13-9-18(10-14-21)17-7-11-20(12-8-17)27-25(29)23-15-19-5-3-4-6-22(19)34-23/h3-16,24,28H,1-2H3,(H,27,29)(H,30,31)/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295479
((S)-3-Methyl-2-(8-(2-oxooxazolidin-3-yl)dibenzo[b,...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)N1CCOC1=O)C(O)=O |r| Show InChI InChI=1S/C20H20N2O7S/c1-11(2)18(19(23)24)21-30(26,27)13-4-5-14-15-9-12(22-7-8-28-20(22)25)3-6-16(15)29-17(14)10-13/h3-6,9-11,18,21H,7-8H2,1-2H3,(H,23,24)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
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 |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295488
((R)-2-(8-(Methoxycarbonylamino)dibenzo[b,d]thiophe...)Show SMILES COC(=O)Nc1ccc2sc3cc(ccc3c2c1)S(=O)(=O)N[C@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C19H20N2O6S2/c1-10(2)17(18(22)23)21-29(25,26)12-5-6-13-14-8-11(20-19(24)27-3)4-7-15(14)28-16(13)9-12/h4-10,17,21H,1-3H3,(H,20,24)(H,22,23)/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 | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM28469
((2S)-2-({12-[(methoxycarbonyl)amino]-8-oxatricyclo...)Show SMILES COC(=O)Nc1ccc2oc3cc(ccc3c2c1)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C19H20N2O7S/c1-10(2)17(18(22)23)21-29(25,26)12-5-6-13-14-8-11(20-19(24)27-3)4-7-15(14)28-16(13)9-12/h4-10,17,21H,1-3H3,(H,20,24)(H,22,23)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM28485
((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3ccccc3o2)cc1)C(O)=O |r| Show InChI InChI=1S/C26H24N2O6S/c1-16(2)24(26(30)31)28-35(32,33)21-13-9-18(10-14-21)17-7-11-20(12-8-17)27-25(29)23-15-19-5-3-4-6-22(19)34-23/h3-16,24,28H,1-2H3,(H,27,29)(H,30,31)/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human MMP2 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM28470
((2S)-2-({12-[(ethoxycarbonyl)amino]-8-oxatricyclo[...)Show SMILES CCOC(=O)Nc1ccc2oc3cc(ccc3c2c1)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C20H22N2O7S/c1-4-28-20(25)21-12-5-8-16-15(9-12)14-7-6-13(10-17(14)29-16)30(26,27)22-18(11(2)3)19(23)24/h5-11,18,22H,4H2,1-3H3,(H,21,25)(H,23,24)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295499
((S)-2-(7-((But-3-ynyloxy)carbonylamino)dibenzo[b,d...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)OCCC#C)ccc21)C(O)=O |r| Show InChI InChI=1S/C22H22N2O6S2/c1-4-5-10-30-22(27)23-14-6-8-16-17-9-7-15(12-19(17)31-18(16)11-14)32(28,29)24-20(13(2)3)21(25)26/h1,6-9,11-13,20,24H,5,10H2,2-3H3,(H,23,27)(H,25,26)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295495
((S)-2-(7-(Ethoxycarbonylamino)dibenzo[b,d]thiophen...)Show SMILES CCOC(=O)Nc1ccc2c(c1)sc1cc(ccc21)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C20H22N2O6S2/c1-4-28-20(25)21-12-5-7-14-15-8-6-13(10-17(15)29-16(14)9-12)30(26,27)22-18(11(2)3)19(23)24/h5-11,18,22H,4H2,1-3H3,(H,21,25)(H,23,24)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295498
((S)-3-Methyl-2-(7-((2-(methylsulfonyl)ethoxy)carbo...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)OCCS(C)(=O)=O)ccc21)C(O)=O |r| Show InChI InChI=1S/C21H24N2O8S3/c1-12(2)19(20(24)25)23-34(29,30)14-5-7-16-15-6-4-13(10-17(15)32-18(16)11-14)22-21(26)31-8-9-33(3,27)28/h4-7,10-12,19,23H,8-9H2,1-3H3,(H,22,26)(H,24,25)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295491
((S)-2-(7-(Methoxycarbonylamino)dibenzo[b,d]thiophe...)Show SMILES COC(=O)Nc1ccc2c(c1)sc1cc(ccc21)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C19H20N2O6S2/c1-10(2)17(18(22)23)21-29(25,26)12-5-7-14-13-6-4-11(20-19(24)27-3)8-15(13)28-16(14)9-12/h4-10,17,21H,1-3H3,(H,20,24)(H,22,23)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295510
((S)-3-Methyl-2-(7-(2-oxooxazolidin-3-yl)dibenzo[b,...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1cc(ccc21)N1CCOC1=O)C(O)=O |r| Show InChI InChI=1S/C20H20N2O7S/c1-11(2)18(19(23)24)21-30(26,27)13-4-6-15-14-5-3-12(22-7-8-28-20(22)25)9-16(14)29-17(15)10-13/h3-6,9-11,18,21H,7-8H2,1-2H3,(H,23,24)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295492
((R)-2-(7-(Methoxycarbonylamino)dibenzo[b,d]furan-3...)Show SMILES COC(=O)Nc1ccc2c(c1)oc1cc(ccc21)S(=O)(=O)N[C@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C19H20N2O7S/c1-10(2)17(18(22)23)21-29(25,26)12-5-7-14-13-6-4-11(20-19(24)27-3)8-15(13)28-16(14)9-12/h4-10,17,21H,1-3H3,(H,20,24)(H,22,23)/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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM28482
((2S)-2-({11-[(methoxycarbonyl)amino]-8-oxatricyclo...)Show SMILES COC(=O)Nc1ccc2c(c1)oc1cc(ccc21)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C19H20N2O7S/c1-10(2)17(18(22)23)21-29(25,26)12-5-7-14-13-6-4-11(20-19(24)27-3)8-15(13)28-16(14)9-12/h4-10,17,21H,1-3H3,(H,20,24)(H,22,23)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM28485
((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3ccccc3o2)cc1)C(O)=O |r| Show InChI InChI=1S/C26H24N2O6S/c1-16(2)24(26(30)31)28-35(32,33)21-13-9-18(10-14-21)17-7-11-20(12-8-17)27-25(29)23-15-19-5-3-4-6-22(19)34-23/h3-16,24,28H,1-2H3,(H,27,29)(H,30,31)/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295512
((S)-2-(7-Aminodibenzo[b,d]furan-3-sulfonamido)-3-m...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1cc(N)ccc21)C(O)=O |r| Show InChI InChI=1S/C17H18N2O5S/c1-9(2)16(17(20)21)19-25(22,23)11-4-6-13-12-5-3-10(18)7-14(12)24-15(13)8-11/h3-9,16,19H,18H2,1-2H3,(H,20,21)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295506
((S)-3-Methyl-2-(7-(3-(2-(thiophen-2-yl)ethyl)ureid...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1cc(NC(=O)NCCc3cccs3)ccc21)C(O)=O |r| Show InChI InChI=1S/C24H25N3O6S2/c1-14(2)22(23(28)29)27-35(31,32)17-6-8-19-18-7-5-15(12-20(18)33-21(19)13-17)26-24(30)25-10-9-16-4-3-11-34-16/h3-8,11-14,22,27H,9-10H2,1-2H3,(H,28,29)(H2,25,26,30)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295497
((S)-2-(7-(Isobutoxycarbonylamino)dibenzo[b,d]thiop...)Show SMILES CC(C)COC(=O)Nc1ccc2c(c1)sc1cc(ccc21)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C22H26N2O6S2/c1-12(2)11-30-22(27)23-14-5-7-16-17-8-6-15(10-19(17)31-18(16)9-14)32(28,29)24-20(13(3)4)21(25)26/h5-10,12-13,20,24H,11H2,1-4H3,(H,23,27)(H,25,26)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295496
((S)-2-(7-(Isopropoxycarbonylamino)dibenzo[b,d]thio...)Show SMILES CC(C)OC(=O)Nc1ccc2c(c1)sc1cc(ccc21)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C21H24N2O6S2/c1-11(2)19(20(24)25)23-31(27,28)14-6-8-16-15-7-5-13(22-21(26)29-12(3)4)9-17(15)30-18(16)10-14/h5-12,19,23H,1-4H3,(H,22,26)(H,24,25)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50295499
((S)-2-(7-((But-3-ynyloxy)carbonylamino)dibenzo[b,d...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)OCCC#C)ccc21)C(O)=O |r| Show InChI InChI=1S/C22H22N2O6S2/c1-4-5-10-30-22(27)23-14-6-8-16-17-9-7-15(12-19(17)31-18(16)11-14)32(28,29)24-20(13(2)3)21(25)26/h1,6-9,11-13,20,24H,5,10H2,2-3H3,(H,23,27)(H,25,26)/t20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295500
((S)-3-Methyl-2-(7-(phenoxycarbonylamino)dibenzo[b,...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)Oc3ccccc3)ccc21)C(O)=O |r| Show InChI InChI=1S/C24H22N2O6S2/c1-14(2)22(23(27)28)26-34(30,31)17-9-11-19-18-10-8-15(12-20(18)33-21(19)13-17)25-24(29)32-16-6-4-3-5-7-16/h3-14,22,26H,1-2H3,(H,25,29)(H,27,28)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Mus musculus) | BDBM50295479
((S)-3-Methyl-2-(8-(2-oxooxazolidin-3-yl)dibenzo[b,...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)N1CCOC1=O)C(O)=O |r| Show InChI InChI=1S/C20H20N2O7S/c1-11(2)18(19(23)24)21-30(26,27)13-4-5-14-15-9-12(22-7-8-28-20(22)25)3-6-16(15)29-17(14)10-13/h3-6,9-11,18,21H,7-8H2,1-2H3,(H,23,24)/t18-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of mouse MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295502
((S)-2-(7-((4-Fluorophenoxy)carbonylamino)dibenzo[b...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)Oc3ccc(F)cc3)ccc21)C(O)=O |r| Show InChI InChI=1S/C24H21FN2O6S2/c1-13(2)22(23(28)29)27-35(31,32)17-8-10-19-18-9-5-15(11-20(18)34-21(19)12-17)26-24(30)33-16-6-3-14(25)4-7-16/h3-13,22,27H,1-2H3,(H,26,30)(H,28,29)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295490
((R)-2-(7-(Methoxycarbonylamino)dibenzo[b,d]thiophe...)Show SMILES COC(=O)Nc1ccc2c(c1)sc1cc(ccc21)S(=O)(=O)N[C@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C19H20N2O6S2/c1-10(2)17(18(22)23)21-29(25,26)12-5-7-14-13-6-4-11(20-19(24)27-3)8-15(13)28-16(14)9-12/h4-10,17,21H,1-3H3,(H,20,24)(H,22,23)/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 | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295509
((S)-2-(7-(3-Benzylureido)dibenzo[b,d]thiophene-3-s...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)NCc3ccccc3)ccc21)C(O)=O |r| Show InChI InChI=1S/C25H25N3O5S2/c1-15(2)23(24(29)30)28-35(32,33)18-9-11-20-19-10-8-17(12-21(19)34-22(20)13-18)27-25(31)26-14-16-6-4-3-5-7-16/h3-13,15,23,28H,14H2,1-2H3,(H,29,30)(H2,26,27,31)/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295501
((S)-3-Methyl-2-(7-(p-tolyloxycarbonylamino)dibenzo...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)Oc3ccc(C)cc3)ccc21)C(O)=O |r| Show InChI InChI=1S/C25H24N2O6S2/c1-14(2)23(24(28)29)27-35(31,32)18-9-11-20-19-10-6-16(12-21(19)34-22(20)13-18)26-25(30)33-17-7-4-15(3)5-8-17/h4-14,23,27H,1-3H3,(H,26,30)(H,28,29)/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50295479
((S)-3-Methyl-2-(8-(2-oxooxazolidin-3-yl)dibenzo[b,...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)N1CCOC1=O)C(O)=O |r| Show InChI InChI=1S/C20H20N2O7S/c1-11(2)18(19(23)24)21-30(26,27)13-4-5-14-15-9-12(22-7-8-28-20(22)25)3-6-16(15)29-17(14)10-13/h3-6,9-11,18,21H,7-8H2,1-2H3,(H,23,24)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human MMP8 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM28486
((2R)-3-methyl-2-{8-oxatricyclo[7.4.0.0^{2,7}]tride...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(O)=O |r| Show InChI InChI=1S/C17H17NO5S/c1-10(2)16(17(19)20)18-24(21,22)11-7-8-15-13(9-11)12-5-3-4-6-14(12)23-15/h3-10,16,18H,1-2H3,(H,19,20)/t16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50295498
((S)-3-Methyl-2-(7-((2-(methylsulfonyl)ethoxy)carbo...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)OCCS(C)(=O)=O)ccc21)C(O)=O |r| Show InChI InChI=1S/C21H24N2O8S3/c1-12(2)19(20(24)25)23-34(29,30)14-5-7-16-15-6-4-13(10-17(15)32-18(16)11-14)22-21(26)31-8-9-33(3,27)28/h4-7,10-12,19,23H,8-9H2,1-3H3,(H,22,26)(H,24,25)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295493
((S)-2-(7-Aminodibenzo[b,d]thiophene-3-sulfonamido)...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(N)ccc21)C(O)=O |r| Show InChI InChI=1S/C17H18N2O4S2/c1-9(2)16(17(20)21)19-25(22,23)11-4-6-13-12-5-3-10(18)7-14(12)24-15(13)8-11/h3-9,16,19H,18H2,1-2H3,(H,20,21)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295511
((S)-3-Methyl-2-(7-(2-oxooxazolidin-3-yl)dibenzo[b,...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(ccc21)N1CCOC1=O)C(O)=O |r| Show InChI InChI=1S/C20H20N2O6S2/c1-11(2)18(19(23)24)21-30(26,27)13-4-6-15-14-5-3-12(22-7-8-28-20(22)25)9-16(14)29-17(15)10-13/h3-6,9-11,18,21H,7-8H2,1-2H3,(H,23,24)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295485
((S)-3-Methyl-2-(8-(methylsulfonamido)dibenzo[b,d]t...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1ccc(NS(C)(=O)=O)cc21)C(O)=O |r| Show InChI InChI=1S/C18H20N2O6S3/c1-10(2)17(18(21)22)20-29(25,26)12-5-6-13-14-8-11(19-28(3,23)24)4-7-15(14)27-16(13)9-12/h4-10,17,19-20H,1-3H3,(H,21,22)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50295495
((S)-2-(7-(Ethoxycarbonylamino)dibenzo[b,d]thiophen...)Show SMILES CCOC(=O)Nc1ccc2c(c1)sc1cc(ccc21)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C20H22N2O6S2/c1-4-28-20(25)21-12-5-7-14-15-8-6-13(10-17(15)29-16(14)9-12)30(26,27)22-18(11(2)3)19(23)24/h5-11,18,22H,4H2,1-3H3,(H,21,25)(H,23,24)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295484
((R)-3-Methyl-2-(8-(methylsulfonamido)dibenzo[b,d]t...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)sc1ccc(NS(C)(=O)=O)cc21)C(O)=O |r| Show InChI InChI=1S/C18H20N2O6S3/c1-10(2)17(18(21)22)20-29(25,26)12-5-6-13-14-8-11(19-28(3,23)24)4-7-15(14)27-16(13)9-12/h4-10,17,19-20H,1-3H3,(H,21,22)/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 | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM28469
((2S)-2-({12-[(methoxycarbonyl)amino]-8-oxatricyclo...)Show SMILES COC(=O)Nc1ccc2oc3cc(ccc3c2c1)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C19H20N2O7S/c1-10(2)17(18(22)23)21-29(25,26)12-5-6-13-14-8-11(20-19(24)27-3)4-7-15(14)28-16(13)9-12/h4-10,17,21H,1-3H3,(H,20,24)(H,22,23)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human MMP2 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50295489
((S)-2-(8-(Methoxycarbonylamino)dibenzo[b,d]thiophe...)Show SMILES COC(=O)Nc1ccc2sc3cc(ccc3c2c1)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C19H20N2O6S2/c1-10(2)17(18(22)23)21-29(25,26)12-5-6-13-14-8-11(20-19(24)27-3)4-7-15(14)28-16(13)9-12/h4-10,17,21H,1-3H3,(H,20,24)(H,22,23)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50295479
((S)-3-Methyl-2-(8-(2-oxooxazolidin-3-yl)dibenzo[b,...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)N1CCOC1=O)C(O)=O |r| Show InChI InChI=1S/C20H20N2O7S/c1-11(2)18(19(23)24)21-30(26,27)13-4-5-14-15-9-12(22-7-8-28-20(22)25)3-6-16(15)29-17(14)10-13/h3-6,9-11,18,21H,7-8H2,1-2H3,(H,23,24)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human MMP2 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Rattus norvegicus) | BDBM50295479
((S)-3-Methyl-2-(8-(2-oxooxazolidin-3-yl)dibenzo[b,...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)N1CCOC1=O)C(O)=O |r| Show InChI InChI=1S/C20H20N2O7S/c1-11(2)18(19(23)24)21-30(26,27)13-4-5-14-15-9-12(22-7-8-28-20(22)25)3-6-16(15)29-17(14)10-13/h3-6,9-11,18,21H,7-8H2,1-2H3,(H,23,24)/t18-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of rat MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295480
((R)-2-(Dibenzo[b,d]thiophene-2-sulfonamido)-3-meth...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc2sc3ccccc3c2c1)C(O)=O |r| Show InChI InChI=1S/C17H17NO4S2/c1-10(2)16(17(19)20)18-24(21,22)11-7-8-15-13(9-11)12-5-3-4-6-14(12)23-15/h3-10,16,18H,1-2H3,(H,19,20)/t16-/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 | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295508
((S)-3-Methyl-2-(7-(3-phenylureido)dibenzo[b,d]thio...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)Nc3ccccc3)ccc21)C(O)=O |r| Show InChI InChI=1S/C24H23N3O5S2/c1-14(2)22(23(28)29)27-34(31,32)17-9-11-19-18-10-8-16(12-20(18)33-21(19)13-17)26-24(30)25-15-6-4-3-5-7-15/h3-14,22,27H,1-2H3,(H,28,29)(H2,25,26,30)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295494
((R)-2-(7-(Ethoxycarbonylamino)dibenzo[b,d]thiophen...)Show SMILES CCOC(=O)Nc1ccc2c(c1)sc1cc(ccc21)S(=O)(=O)N[C@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C20H22N2O6S2/c1-4-28-20(25)21-12-5-7-14-15-8-6-13(10-17(15)29-16(14)9-12)30(26,27)22-18(11(2)3)19(23)24/h5-11,18,22H,4H2,1-3H3,(H,21,25)(H,23,24)/t18-/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 | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM28470
((2S)-2-({12-[(ethoxycarbonyl)amino]-8-oxatricyclo[...)Show SMILES CCOC(=O)Nc1ccc2oc3cc(ccc3c2c1)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C20H22N2O7S/c1-4-28-20(25)21-12-5-8-16-15(9-12)14-7-6-13(10-17(14)29-16)30(26,27)22-18(11(2)3)19(23)24/h5-11,18,22H,4H2,1-3H3,(H,21,25)(H,23,24)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| 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 human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50295479
((S)-3-Methyl-2-(8-(2-oxooxazolidin-3-yl)dibenzo[b,...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)N1CCOC1=O)C(O)=O |r| Show InChI InChI=1S/C20H20N2O7S/c1-11(2)18(19(23)24)21-30(26,27)13-4-5-14-15-9-12(22-7-8-28-20(22)25)3-6-16(15)29-17(14)10-13/h3-6,9-11,18,21H,7-8H2,1-2H3,(H,23,24)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 106 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM28469
((2S)-2-({12-[(methoxycarbonyl)amino]-8-oxatricyclo...)Show SMILES COC(=O)Nc1ccc2oc3cc(ccc3c2c1)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C19H20N2O7S/c1-10(2)17(18(22)23)21-29(25,26)12-5-6-13-14-8-11(20-19(24)27-3)4-7-15(14)28-16(13)9-12/h4-10,17,21H,1-3H3,(H,20,24)(H,22,23)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50295511
((S)-3-Methyl-2-(7-(2-oxooxazolidin-3-yl)dibenzo[b,...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(ccc21)N1CCOC1=O)C(O)=O |r| Show InChI InChI=1S/C20H20N2O6S2/c1-11(2)18(19(23)24)21-30(26,27)13-4-6-15-14-5-3-12(22-7-8-28-20(22)25)9-16(14)29-17(15)10-13/h3-6,9-11,18,21H,7-8H2,1-2H3,(H,23,24)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50295496
((S)-2-(7-(Isopropoxycarbonylamino)dibenzo[b,d]thio...)Show SMILES CC(C)OC(=O)Nc1ccc2c(c1)sc1cc(ccc21)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C21H24N2O6S2/c1-11(2)19(20(24)25)23-31(27,28)14-6-8-16-15-7-5-13(22-21(26)29-12(3)4)9-17(15)30-18(16)10-14/h5-12,19,23H,1-4H3,(H,22,26)(H,24,25)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 147 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50295506
((S)-3-Methyl-2-(7-(3-(2-(thiophen-2-yl)ethyl)ureid...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1cc(NC(=O)NCCc3cccs3)ccc21)C(O)=O |r| Show InChI InChI=1S/C24H25N3O6S2/c1-14(2)22(23(28)29)27-35(31,32)17-6-8-19-18-7-5-15(12-20(18)33-21(19)13-17)26-24(30)25-10-9-16-4-3-11-34-16/h3-8,11-14,22,27H,9-10H2,1-2H3,(H,28,29)(H2,25,26,30)/t22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 187 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295505
((S)-3-Methyl-2-(7-(3-(2-(thiophen-2-yl)ethyl)ureid...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)NCCc3cccs3)ccc21)C(O)=O |r| Show InChI InChI=1S/C24H25N3O5S3/c1-14(2)22(23(28)29)27-35(31,32)17-6-8-19-18-7-5-15(12-20(18)34-21(19)13-17)26-24(30)25-10-9-16-4-3-11-33-16/h3-8,11-14,22,27H,9-10H2,1-2H3,(H,28,29)(H2,25,26,30)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 187 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50295509
((S)-2-(7-(3-Benzylureido)dibenzo[b,d]thiophene-3-s...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)NCc3ccccc3)ccc21)C(O)=O |r| Show InChI InChI=1S/C25H25N3O5S2/c1-15(2)23(24(29)30)28-35(32,33)18-9-11-20-19-10-8-17(12-21(19)34-22(20)13-18)27-25(31)26-14-16-6-4-3-5-7-16/h3-13,15,23,28H,14H2,1-2H3,(H,29,30)(H2,26,27,31)/t23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50295492
((R)-2-(7-(Methoxycarbonylamino)dibenzo[b,d]furan-3...)Show SMILES COC(=O)Nc1ccc2c(c1)oc1cc(ccc21)S(=O)(=O)N[C@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C19H20N2O7S/c1-10(2)17(18(22)23)21-29(25,26)12-5-7-14-13-6-4-11(20-19(24)27-3)8-15(13)28-16(14)9-12/h4-10,17,21H,1-3H3,(H,20,24)(H,22,23)/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 | 215 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50295502
((S)-2-(7-((4-Fluorophenoxy)carbonylamino)dibenzo[b...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)Oc3ccc(F)cc3)ccc21)C(O)=O |r| Show InChI InChI=1S/C24H21FN2O6S2/c1-13(2)22(23(28)29)27-35(31,32)17-8-10-19-18-9-5-15(11-20(18)34-21(19)12-17)26-24(30)33-16-6-3-14(25)4-7-16/h3-13,22,27H,1-2H3,(H,26,30)(H,28,29)/t22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 217 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50295500
((S)-3-Methyl-2-(7-(phenoxycarbonylamino)dibenzo[b,...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)Oc3ccccc3)ccc21)C(O)=O |r| Show InChI InChI=1S/C24H22N2O6S2/c1-14(2)22(23(27)28)26-34(30,31)17-9-11-19-18-10-8-15(12-20(18)33-21(19)13-17)25-24(29)32-16-6-4-3-5-7-16/h3-14,22,26H,1-2H3,(H,25,29)(H,27,28)/t22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 225 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50295501
((S)-3-Methyl-2-(7-(p-tolyloxycarbonylamino)dibenzo...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)Oc3ccc(C)cc3)ccc21)C(O)=O |r| Show InChI InChI=1S/C25H24N2O6S2/c1-14(2)23(24(28)29)27-35(31,32)18-9-11-20-19-10-6-16(12-21(19)34-22(20)13-18)26-25(30)33-17-7-4-15(3)5-8-17/h4-14,23,27H,1-3H3,(H,26,30)(H,28,29)/t23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 235 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295503
((S)-2-(7-(3-Ethylureido)dibenzo[b,d]thiophene-3-su...)Show SMILES CCNC(=O)Nc1ccc2c(c1)sc1cc(ccc21)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C20H23N3O5S2/c1-4-21-20(26)22-12-5-7-14-15-8-6-13(10-17(15)29-16(14)9-12)30(27,28)23-18(11(2)3)19(24)25/h5-11,18,23H,4H2,1-3H3,(H,24,25)(H2,21,22,26)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50295508
((S)-3-Methyl-2-(7-(3-phenylureido)dibenzo[b,d]thio...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)Nc3ccccc3)ccc21)C(O)=O |r| Show InChI InChI=1S/C24H23N3O5S2/c1-14(2)22(23(28)29)27-34(31,32)17-9-11-19-18-10-8-16(12-20(18)33-21(19)13-17)26-24(30)25-15-6-4-3-5-7-15/h3-14,22,27H,1-2H3,(H,28,29)(H2,25,26,30)/t22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 269 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50295484
((R)-3-Methyl-2-(8-(methylsulfonamido)dibenzo[b,d]t...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)sc1ccc(NS(C)(=O)=O)cc21)C(O)=O |r| Show InChI InChI=1S/C18H20N2O6S3/c1-10(2)17(18(21)22)20-29(25,26)12-5-6-13-14-8-11(19-28(3,23)24)4-7-15(14)27-16(13)9-12/h4-10,17,19-20H,1-3H3,(H,21,22)/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 | 277 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50295479
((S)-3-Methyl-2-(8-(2-oxooxazolidin-3-yl)dibenzo[b,...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)N1CCOC1=O)C(O)=O |r| Show InChI InChI=1S/C20H20N2O7S/c1-11(2)18(19(23)24)21-30(26,27)13-4-5-14-15-9-12(22-7-8-28-20(22)25)3-6-16(15)29-17(14)10-13/h3-6,9-11,18,21H,7-8H2,1-2H3,(H,23,24)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human MMP3 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50295479
((S)-3-Methyl-2-(8-(2-oxooxazolidin-3-yl)dibenzo[b,...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)N1CCOC1=O)C(O)=O |r| Show InChI InChI=1S/C20H20N2O7S/c1-11(2)18(19(23)24)21-30(26,27)13-4-5-14-15-9-12(22-7-8-28-20(22)25)3-6-16(15)29-17(14)10-13/h3-6,9-11,18,21H,7-8H2,1-2H3,(H,23,24)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 318 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human MMP9 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50295497
((S)-2-(7-(Isobutoxycarbonylamino)dibenzo[b,d]thiop...)Show SMILES CC(C)COC(=O)Nc1ccc2c(c1)sc1cc(ccc21)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C22H26N2O6S2/c1-12(2)11-30-22(27)23-14-5-7-16-17-8-6-15(10-19(17)31-18(16)9-14)32(28,29)24-20(13(3)4)21(25)26/h5-10,12-13,20,24H,11H2,1-4H3,(H,23,27)(H,25,26)/t20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 334 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50295510
((S)-3-Methyl-2-(7-(2-oxooxazolidin-3-yl)dibenzo[b,...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1cc(ccc21)N1CCOC1=O)C(O)=O |r| Show InChI InChI=1S/C20H20N2O7S/c1-11(2)18(19(23)24)21-30(26,27)13-4-6-15-14-5-3-12(22-7-8-28-20(22)25)9-16(14)29-17(15)10-13/h3-6,9-11,18,21H,7-8H2,1-2H3,(H,23,24)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50295505
((S)-3-Methyl-2-(7-(3-(2-(thiophen-2-yl)ethyl)ureid...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)NCCc3cccs3)ccc21)C(O)=O |r| Show InChI InChI=1S/C24H25N3O5S3/c1-14(2)22(23(28)29)27-35(31,32)17-6-8-19-18-7-5-15(12-20(18)34-21(19)13-17)26-24(30)25-10-9-16-4-3-11-33-16/h3-8,11-14,22,27H,9-10H2,1-2H3,(H,28,29)(H2,25,26,30)/t22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 456 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM28482
((2S)-2-({11-[(methoxycarbonyl)amino]-8-oxatricyclo...)Show SMILES COC(=O)Nc1ccc2c(c1)oc1cc(ccc21)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C19H20N2O7S/c1-10(2)17(18(22)23)21-29(25,26)12-5-7-14-13-6-4-11(20-19(24)27-3)8-15(13)28-16(14)9-12/h4-10,17,21H,1-3H3,(H,20,24)(H,22,23)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 505 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM28487
((2S)-3-methyl-2-{8-oxatricyclo[7.4.0.0^{2,7}]tride...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(O)=O |r| Show InChI InChI=1S/C17H17NO5S/c1-10(2)16(17(19)20)18-24(21,22)11-7-8-15-13(9-11)12-5-3-4-6-14(12)23-15/h3-10,16,18H,1-2H3,(H,19,20)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50295491
((S)-2-(7-(Methoxycarbonylamino)dibenzo[b,d]thiophe...)Show SMILES COC(=O)Nc1ccc2c(c1)sc1cc(ccc21)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C19H20N2O6S2/c1-10(2)17(18(22)23)21-29(25,26)12-5-7-14-13-6-4-11(20-19(24)27-3)8-15(13)28-16(14)9-12/h4-10,17,21H,1-3H3,(H,20,24)(H,22,23)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 632 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295481
((S)-2-(Dibenzo[b,d]thiophene-2-sulfonamido)-3-meth...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2sc3ccccc3c2c1)C(O)=O |r| Show InChI InChI=1S/C17H17NO4S2/c1-10(2)16(17(19)20)18-24(21,22)11-7-8-15-13(9-11)12-5-3-4-6-14(12)23-15/h3-10,16,18H,1-2H3,(H,19,20)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50295503
((S)-2-(7-(3-Ethylureido)dibenzo[b,d]thiophene-3-su...)Show SMILES CCNC(=O)Nc1ccc2c(c1)sc1cc(ccc21)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C20H23N3O5S2/c1-4-21-20(26)22-12-5-7-14-15-8-6-13(10-17(15)29-16(14)9-12)30(27,28)23-18(11(2)3)19(24)25/h5-11,18,23H,4H2,1-3H3,(H,24,25)(H2,21,22,26)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 809 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295504
((S)-2-(7-(3-Cyclopentylureido)dibenzo[b,d]thiophen...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)NC3CCCC3)ccc21)C(O)=O |r| Show InChI InChI=1S/C23H27N3O5S2/c1-13(2)21(22(27)28)26-33(30,31)16-8-10-18-17-9-7-15(11-19(17)32-20(18)12-16)25-23(29)24-14-5-3-4-6-14/h7-14,21,26H,3-6H2,1-2H3,(H,27,28)(H2,24,25,29)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50295504
((S)-2-(7-(3-Cyclopentylureido)dibenzo[b,d]thiophen...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)NC3CCCC3)ccc21)C(O)=O |r| Show InChI InChI=1S/C23H27N3O5S2/c1-13(2)21(22(27)28)26-33(30,31)16-8-10-18-17-9-7-15(11-19(17)32-20(18)12-16)25-23(29)24-14-5-3-4-6-14/h7-14,21,26H,3-6H2,1-2H3,(H,27,28)(H2,24,25,29)/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50295493
((S)-2-(7-Aminodibenzo[b,d]thiophene-3-sulfonamido)...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(N)ccc21)C(O)=O |r| Show InChI InChI=1S/C17H18N2O4S2/c1-9(2)16(17(20)21)19-25(22,23)11-4-6-13-12-5-3-10(18)7-14(12)24-15(13)8-11/h3-9,16,19H,18H2,1-2H3,(H,20,21)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50295512
((S)-2-(7-Aminodibenzo[b,d]furan-3-sulfonamido)-3-m...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1cc(N)ccc21)C(O)=O |r| Show InChI InChI=1S/C17H18N2O5S/c1-9(2)16(17(20)21)19-25(22,23)11-4-6-13-12-5-3-10(18)7-14(12)24-15(13)8-11/h3-9,16,19H,18H2,1-2H3,(H,20,21)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50295485
((S)-3-Methyl-2-(8-(methylsulfonamido)dibenzo[b,d]t...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1ccc(NS(C)(=O)=O)cc21)C(O)=O |r| Show InChI InChI=1S/C18H20N2O6S3/c1-10(2)17(18(21)22)20-29(25,26)12-5-6-13-14-8-11(19-28(3,23)24)4-7-15(14)27-16(13)9-12/h4-10,17,19-20H,1-3H3,(H,21,22)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50295507
((R)-3-Methyl-2-(7-(3-phenylureido)dibenzo[b,d]thio...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)Nc3ccccc3)ccc21)C(O)=O |r| Show InChI InChI=1S/C24H23N3O5S2/c1-14(2)22(23(28)29)27-34(31,32)17-9-11-19-18-10-8-16(12-20(18)33-21(19)13-17)26-24(30)25-15-6-4-3-5-7-15/h3-14,22,27H,1-2H3,(H,28,29)(H2,25,26,30)/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 | 1.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50295490
((R)-2-(7-(Methoxycarbonylamino)dibenzo[b,d]thiophe...)Show SMILES COC(=O)Nc1ccc2c(c1)sc1cc(ccc21)S(=O)(=O)N[C@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C19H20N2O6S2/c1-10(2)17(18(22)23)21-29(25,26)12-5-7-14-13-6-4-11(20-19(24)27-3)8-15(13)28-16(14)9-12/h4-10,17,21H,1-3H3,(H,20,24)(H,22,23)/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 | 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295507
((R)-3-Methyl-2-(7-(3-phenylureido)dibenzo[b,d]thio...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)Nc3ccccc3)ccc21)C(O)=O |r| Show InChI InChI=1S/C24H23N3O5S2/c1-14(2)22(23(28)29)27-34(31,32)17-9-11-19-18-10-8-16(12-20(18)33-21(19)13-17)26-24(30)25-15-6-4-3-5-7-15/h3-14,22,27H,1-2H3,(H,28,29)(H2,25,26,30)/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 | 1.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295483
((S)-3-Methyl-2-(7-(methylsulfonamido)dibenzo[b,d]t...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2sc3cc(NS(C)(=O)=O)ccc3c2c1)C(O)=O |r| Show InChI InChI=1S/C18H20N2O6S3/c1-10(2)17(18(21)22)20-29(25,26)12-5-7-15-14(9-12)13-6-4-11(8-16(13)27-15)19-28(3,23)24/h4-10,17,19-20H,1-3H3,(H,21,22)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50295479
((S)-3-Methyl-2-(8-(2-oxooxazolidin-3-yl)dibenzo[b,...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)N1CCOC1=O)C(O)=O |r| Show InChI InChI=1S/C20H20N2O7S/c1-11(2)18(19(23)24)21-30(26,27)13-4-5-14-15-9-12(22-7-8-28-20(22)25)3-6-16(15)29-17(14)10-13/h3-6,9-11,18,21H,7-8H2,1-2H3,(H,23,24)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human MMP14 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM28486
((2R)-3-methyl-2-{8-oxatricyclo[7.4.0.0^{2,7}]tride...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(O)=O |r| Show InChI InChI=1S/C17H17NO5S/c1-10(2)16(17(19)20)18-24(21,22)11-7-8-15-13(9-11)12-5-3-4-6-14(12)23-15/h3-10,16,18H,1-2H3,(H,19,20)/t16-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295486
((R)-2-(7-(Methoxycarbonylamino)dibenzo[b,d]thiophe...)Show SMILES COC(=O)Nc1ccc2c(c1)sc1ccc(cc21)S(=O)(=O)N[C@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C19H20N2O6S2/c1-10(2)17(18(22)23)21-29(25,26)12-5-7-15-14(9-12)13-6-4-11(8-16(13)28-15)20-19(24)27-3/h4-10,17,21H,1-3H3,(H,20,24)(H,22,23)/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 | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295482
((R)-3-Methyl-2-(7-(methylsulfonamido)dibenzo[b,d]t...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc2sc3cc(NS(C)(=O)=O)ccc3c2c1)C(O)=O |r| Show InChI InChI=1S/C18H20N2O6S3/c1-10(2)17(18(21)22)20-29(25,26)12-5-7-15-14(9-12)13-6-4-11(8-16(13)27-15)19-28(3,23)24/h4-10,17,19-20H,1-3H3,(H,21,22)/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 | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50295479
((S)-3-Methyl-2-(8-(2-oxooxazolidin-3-yl)dibenzo[b,...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)N1CCOC1=O)C(O)=O |r| Show InChI InChI=1S/C20H20N2O7S/c1-11(2)18(19(23)24)21-30(26,27)13-4-5-14-15-9-12(22-7-8-28-20(22)25)3-6-16(15)29-17(14)10-13/h3-6,9-11,18,21H,7-8H2,1-2H3,(H,23,24)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human MMP1 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50295487
((S)-2-(7-(Methoxycarbonylamino)dibenzo[b,d]thiophe...)Show SMILES COC(=O)Nc1ccc2c(c1)sc1ccc(cc21)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C19H20N2O6S2/c1-10(2)17(18(22)23)21-29(25,26)12-5-7-15-14(9-12)13-6-4-11(8-16(13)28-15)20-19(24)27-3/h4-10,17,21H,1-3H3,(H,20,24)(H,22,23)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP12 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Matrilysin
(Homo sapiens (Human)) | BDBM50295479
((S)-3-Methyl-2-(8-(2-oxooxazolidin-3-yl)dibenzo[b,...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)N1CCOC1=O)C(O)=O |r| Show InChI InChI=1S/C20H20N2O7S/c1-11(2)18(19(23)24)21-30(26,27)13-4-5-14-15-9-12(22-7-8-28-20(22)25)3-6-16(15)29-17(14)10-13/h3-6,9-11,18,21H,7-8H2,1-2H3,(H,23,24)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human MMP7 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50295480
((R)-2-(Dibenzo[b,d]thiophene-2-sulfonamido)-3-meth...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc2sc3ccccc3c2c1)C(O)=O |r| Show InChI InChI=1S/C17H17NO4S2/c1-10(2)16(17(19)20)18-24(21,22)11-7-8-15-13(9-11)12-5-3-4-6-14(12)23-15/h3-10,16,18H,1-2H3,(H,19,20)/t16-/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 | 1.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50295479
((S)-3-Methyl-2-(8-(2-oxooxazolidin-3-yl)dibenzo[b,...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)N1CCOC1=O)C(O)=O |r| Show InChI InChI=1S/C20H20N2O7S/c1-11(2)18(19(23)24)21-30(26,27)13-4-5-14-15-9-12(22-7-8-28-20(22)25)3-6-16(15)29-17(14)10-13/h3-6,9-11,18,21H,7-8H2,1-2H3,(H,23,24)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Aggrecanase 1 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50295479
((S)-3-Methyl-2-(8-(2-oxooxazolidin-3-yl)dibenzo[b,...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)N1CCOC1=O)C(O)=O |r| Show InChI InChI=1S/C20H20N2O7S/c1-11(2)18(19(23)24)21-30(26,27)13-4-5-14-15-9-12(22-7-8-28-20(22)25)3-6-16(15)29-17(14)10-13/h3-6,9-11,18,21H,7-8H2,1-2H3,(H,23,24)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Aggrecanase 2 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50295486
((R)-2-(7-(Methoxycarbonylamino)dibenzo[b,d]thiophe...)Show SMILES COC(=O)Nc1ccc2c(c1)sc1ccc(cc21)S(=O)(=O)N[C@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C19H20N2O6S2/c1-10(2)17(18(22)23)21-29(25,26)12-5-7-15-14(9-12)13-6-4-11(8-16(13)28-15)20-19(24)27-3/h4-10,17,21H,1-3H3,(H,20,24)(H,22,23)/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 | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50295483
((S)-3-Methyl-2-(7-(methylsulfonamido)dibenzo[b,d]t...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2sc3cc(NS(C)(=O)=O)ccc3c2c1)C(O)=O |r| Show InChI InChI=1S/C18H20N2O6S3/c1-10(2)17(18(21)22)20-29(25,26)12-5-7-15-14(9-12)13-6-4-11(8-16(13)27-15)19-28(3,23)24/h4-10,17,19-20H,1-3H3,(H,21,22)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50295482
((R)-3-Methyl-2-(7-(methylsulfonamido)dibenzo[b,d]t...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc2sc3cc(NS(C)(=O)=O)ccc3c2c1)C(O)=O |r| Show InChI InChI=1S/C18H20N2O6S3/c1-10(2)17(18(21)22)20-29(25,26)12-5-7-15-14(9-12)13-6-4-11(8-16(13)27-15)19-28(3,23)24/h4-10,17,19-20H,1-3H3,(H,21,22)/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 | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM28487
((2S)-3-methyl-2-{8-oxatricyclo[7.4.0.0^{2,7}]tride...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(O)=O |r| Show InChI InChI=1S/C17H17NO5S/c1-10(2)16(17(19)20)18-24(21,22)11-7-8-15-13(9-11)12-5-3-4-6-14(12)23-15/h3-10,16,18H,1-2H3,(H,19,20)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50295487
((S)-2-(7-(Methoxycarbonylamino)dibenzo[b,d]thiophe...)Show SMILES COC(=O)Nc1ccc2c(c1)sc1ccc(cc21)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C19H20N2O6S2/c1-10(2)17(18(22)23)21-29(25,26)12-5-7-15-14(9-12)13-6-4-11(8-16(13)28-15)20-19(24)27-3/h4-10,17,21H,1-3H3,(H,20,24)(H,22,23)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50295479
((S)-3-Methyl-2-(8-(2-oxooxazolidin-3-yl)dibenzo[b,...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)N1CCOC1=O)C(O)=O |r| Show InChI InChI=1S/C20H20N2O7S/c1-11(2)18(19(23)24)21-30(26,27)13-4-5-14-15-9-12(22-7-8-28-20(22)25)3-6-16(15)29-17(14)10-13/h3-6,9-11,18,21H,7-8H2,1-2H3,(H,23,24)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human TACE |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50295481
((S)-2-(Dibenzo[b,d]thiophene-2-sulfonamido)-3-meth...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2sc3ccccc3c2c1)C(O)=O |r| Show InChI InChI=1S/C17H17NO4S2/c1-10(2)16(17(19)20)18-24(21,22)11-7-8-15-13(9-11)12-5-3-4-6-14(12)23-15/h3-10,16,18H,1-2H3,(H,19,20)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 |
J Med Chem 52: 5408-19 (2009)
Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW |
More data for this
Ligand-Target Pair | |
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