Found 71 hits of Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Collagenase 3
(Homo sapiens (Human)) | BDBM50151740
((3S,4R)-3-Hydroxy-4-(4''-methyl-biphenyl-4-sulfony...)Show SMILES Cc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO Show InChI InChI=1S/C19H21NO6S/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)27(24,25)17-10-11-26-12-19(17,22)18(21)20-23/h2-9,17,22-23H,10-12H2,1H3,(H,20,21)/t17-,19-/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 | 0.390 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 13 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50151751
(3-Hydroxy-4-(3''-methyl-biphenyl-4-sulfonyl)-tetra...)Show SMILES Cc1cccc(c1)-c1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO Show InChI InChI=1S/C19H21NO6S/c1-13-3-2-4-15(11-13)14-5-7-16(8-6-14)27(24,25)17-9-10-26-12-19(17,22)18(21)20-23/h2-8,11,17,22-23H,9-10,12H2,1H3,(H,20,21)/t17-,19-/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 | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 13 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50151734
((3S,4R)-4-[4-(4-Chloro-benzyloxy)-benzenesulfonyl]...)Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C19H20ClNO7S/c20-14-3-1-13(2-4-14)11-28-15-5-7-16(8-6-15)29(25,26)17-9-10-27-12-19(17,23)18(22)21-24/h1-8,17,23-24H,9-12H2,(H,21,22)/t17-,19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.880 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 13 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50151732
(4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...)Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-2-1-12(16(21)9-13)10-29-14-3-5-15(6-4-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/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 | 0.950 | 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 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50151732
(4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...)Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-2-1-12(16(21)9-13)10-29-14-3-5-15(6-4-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/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 | 0.950 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 13 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50151736
(3-Hydroxy-4-(4-p-tolyloxy-benzenesulfonyl)-tetrahy...)Show SMILES Cc1ccc(Oc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)cc1 Show InChI InChI=1S/C19H21NO7S/c1-13-2-4-14(5-3-13)27-15-6-8-16(9-7-15)28(24,25)17-10-11-26-12-19(17,22)18(21)20-23/h2-9,17,22-23H,10-12H2,1H3,(H,20,21)/t17-,19-/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 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 13 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50151741
((3S,4R)-3-Hydroxy-4-(4-m-tolyloxy-benzenesulfonyl)...)Show SMILES Cc1cccc(Oc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)c1 Show InChI InChI=1S/C19H21NO7S/c1-13-3-2-4-15(11-13)27-14-5-7-16(8-6-14)28(24,25)17-9-10-26-12-19(17,22)18(21)20-23/h2-8,11,17,22-23H,9-10,12H2,1H3,(H,20,21)/t17-,19-/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 | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 13 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50151738
(3-Hydroxy-4-[4-(4-methyl-benzyloxy)-benzenesulfony...)Show SMILES Cc1ccc(COc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)cc1 Show InChI InChI=1S/C20H23NO7S/c1-14-2-4-15(5-3-14)12-28-16-6-8-17(9-7-16)29(25,26)18-10-11-27-13-20(18,23)19(22)21-24/h2-9,18,23-24H,10-13H2,1H3,(H,21,22)/t18-,20-/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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 13 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50151746
(4-[4-(3-Chloro-benzyloxy)-benzenesulfonyl]-3-hydro...)Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2cccc(Cl)c2)cc1 Show InChI InChI=1S/C19H20ClNO7S/c20-14-3-1-2-13(10-14)11-28-15-4-6-16(7-5-15)29(25,26)17-8-9-27-12-19(17,23)18(22)21-24/h1-7,10,17,23-24H,8-9,11-12H2,(H,21,22)/t17-,19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 13 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50151733
((3S,4R)-4-[4-(2-Chloro-benzyloxy)-benzenesulfonyl]...)Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccccc2Cl)cc1 Show InChI InChI=1S/C19H20ClNO7S/c20-16-4-2-1-3-13(16)11-28-14-5-7-15(8-6-14)29(25,26)17-9-10-27-12-19(17,23)18(22)21-24/h1-8,17,23-24H,9-12H2,(H,21,22)/t17-,19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 13 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50151740
((3S,4R)-3-Hydroxy-4-(4''-methyl-biphenyl-4-sulfony...)Show SMILES Cc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO Show InChI InChI=1S/C19H21NO6S/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)27(24,25)17-10-11-26-12-19(17,22)18(21)20-23/h2-9,17,22-23H,10-12H2,1H3,(H,20,21)/t17-,19-/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 | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 1 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50151744
((3S,4R)-3-Hydroxy-4-[4-(3-methyl-benzyloxy)-benzen...)Show SMILES Cc1cccc(COc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)c1 Show InChI InChI=1S/C20H23NO7S/c1-14-3-2-4-15(11-14)12-28-16-5-7-17(8-6-16)29(25,26)18-9-10-27-13-20(18,23)19(22)21-24/h2-8,11,18,23-24H,9-10,12-13H2,1H3,(H,21,22)/t18-,20-/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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 13 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50151732
(4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...)Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-2-1-12(16(21)9-13)10-29-14-3-5-15(6-4-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/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 | 5.30 | 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 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50151732
(4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...)Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-2-1-12(16(21)9-13)10-29-14-3-5-15(6-4-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/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 | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against aggrecanase |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50151731
(3-Hydroxy-4-(4-o-tolyloxy-benzenesulfonyl)-tetrahy...)Show SMILES Cc1ccccc1Oc1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO Show InChI InChI=1S/C19H21NO7S/c1-13-4-2-3-5-16(13)27-14-6-8-15(9-7-14)28(24,25)17-10-11-26-12-19(17,22)18(21)20-23/h2-9,17,22-23H,10-12H2,1H3,(H,20,21)/t17-,19-/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 | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 13 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50151732
(4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...)Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-2-1-12(16(21)9-13)10-29-14-3-5-15(6-4-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/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 | 12 | 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 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50113022
((2R,4S)-1-[4-(2-Chloro-benzyloxy)-benzenesulfonyl]...)Show SMILES ONC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccccc2Cl)cc1 Show InChI InChI=1S/C19H21ClN2O6S/c20-17-4-2-1-3-13(17)12-28-15-5-7-16(8-6-15)29(26,27)22-10-9-14(23)11-18(22)19(24)21-25/h1-8,14,18,23,25H,9-12H2,(H,21,24)/t14-,18+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 13 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50151747
((3S,4R)-4-[4-(2,5-Dichloro-benzyloxy)-benzenesulfo...)Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2cc(Cl)ccc2Cl)cc1 Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-1-6-16(21)12(9-13)10-29-14-2-4-15(5-3-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 13 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50151743
((3S,4R)-4-[4-(2,3-Dichloro-benzyloxy)-benzenesulfo...)Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2cccc(Cl)c2Cl)cc1 Show InChI InChI=1S/C19H19Cl2NO7S/c20-15-3-1-2-12(17(15)21)10-29-13-4-6-14(7-5-13)30(26,27)16-8-9-28-11-19(16,24)18(23)22-25/h1-7,16,24-25H,8-11H2,(H,22,23)/t16-,19-/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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 13 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50151735
((3S,4R)-4-[4-(2,4-Dimethyl-benzyloxy)-benzenesulfo...)Show SMILES Cc1ccc(COc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)c(C)c1 Show InChI InChI=1S/C21H25NO7S/c1-14-3-4-16(15(2)11-14)12-29-17-5-7-18(8-6-17)30(26,27)19-9-10-28-13-21(19,24)20(23)22-25/h3-8,11,19,24-25H,9-10,12-13H2,1-2H3,(H,22,23)/t19-,21-/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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 13 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50151748
(3-Hydroxy-4-[4-(2-methyl-benzyloxy)-benzenesulfony...)Show SMILES Cc1ccccc1COc1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO Show InChI InChI=1S/C20H23NO7S/c1-14-4-2-3-5-15(14)12-28-16-6-8-17(9-7-16)29(25,26)18-10-11-27-13-20(18,23)19(22)21-24/h2-9,18,23-24H,10-13H2,1H3,(H,21,22)/t18-,20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 13 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50151739
(4-[4-(2,5-Dimethyl-benzyloxy)-benzenesulfonyl]-3-h...)Show SMILES Cc1ccc(C)c(COc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)c1 Show InChI InChI=1S/C21H25NO7S/c1-14-3-4-15(2)16(11-14)12-29-17-5-7-18(8-6-17)30(26,27)19-9-10-28-13-21(19,24)20(23)22-25/h3-8,11,19,24-25H,9-10,12-13H2,1-2H3,(H,22,23)/t19-,21-/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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against aggrecanase |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50151737
(3-Hydroxy-4-[4-(2-trifluoromethyl-benzyloxy)-benze...)Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccccc2C(F)(F)F)cc1 Show InChI InChI=1S/C20H20F3NO7S/c21-20(22,23)16-4-2-1-3-13(16)11-31-14-5-7-15(8-6-14)32(28,29)17-9-10-30-12-19(17,26)18(25)24-27/h1-8,17,26-27H,9-12H2,(H,24,25)/t17-,19-/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 | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 13 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50151751
(3-Hydroxy-4-(3''-methyl-biphenyl-4-sulfonyl)-tetra...)Show SMILES Cc1cccc(c1)-c1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO Show InChI InChI=1S/C19H21NO6S/c1-13-3-2-4-15(11-13)14-5-7-16(8-6-14)27(24,25)17-9-10-26-12-19(17,22)18(21)20-23/h2-8,11,17,22-23H,9-10,12H2,1H3,(H,20,21)/t17-,19-/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 | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 1 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50151749
(4-[4-(2-Chloro-benzyloxy)-benzenesulfonyl]-3-metho...)Show SMILES CO[C@@]1(COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccccc2Cl)cc1)C(=O)NO Show InChI InChI=1S/C20H22ClNO7S/c1-27-20(19(23)22-24)13-28-11-10-18(20)30(25,26)16-8-6-15(7-9-16)29-12-14-4-2-3-5-17(14)21/h2-9,18,24H,10-13H2,1H3,(H,22,23)/t18-,20-/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 | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 13 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50151733
((3S,4R)-4-[4-(2-Chloro-benzyloxy)-benzenesulfonyl]...)Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccccc2Cl)cc1 Show InChI InChI=1S/C19H20ClNO7S/c20-16-4-2-1-3-13(16)11-28-14-5-7-15(8-6-14)29(25,26)17-9-10-27-12-19(17,23)18(22)21-24/h1-8,17,23-24H,9-12H2,(H,21,22)/t17-,19-/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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against aggrecanase |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50151752
((3S,4R)-4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfo...)Show SMILES CO[C@@]1(COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)NO Show InChI InChI=1S/C20H21Cl2NO7S/c1-28-20(19(24)23-25)12-29-9-8-18(20)31(26,27)16-6-4-15(5-7-16)30-11-13-2-3-14(21)10-17(13)22/h2-7,10,18,25H,8-9,11-12H2,1H3,(H,23,24)/t18-,20-/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 | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 13 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50151748
(3-Hydroxy-4-[4-(2-methyl-benzyloxy)-benzenesulfony...)Show SMILES Cc1ccccc1COc1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO Show InChI InChI=1S/C20H23NO7S/c1-14-4-2-3-5-15(14)12-28-16-6-8-17(9-7-16)29(25,26)18-10-11-27-13-20(18,23)19(22)21-24/h2-9,18,23-24H,10-13H2,1H3,(H,21,22)/t18-,20-/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 | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against aggrecanase |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50151732
(4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...)Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-2-1-12(16(21)9-13)10-29-14-3-5-15(6-4-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/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 | 55 | 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 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50151747
((3S,4R)-4-[4-(2,5-Dichloro-benzyloxy)-benzenesulfo...)Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2cc(Cl)ccc2Cl)cc1 Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-1-6-16(21)12(9-13)10-29-14-2-4-15(5-3-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/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 |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against aggrecanase |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50151749
(4-[4-(2-Chloro-benzyloxy)-benzenesulfonyl]-3-metho...)Show SMILES CO[C@@]1(COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccccc2Cl)cc1)C(=O)NO Show InChI InChI=1S/C20H22ClNO7S/c1-27-20(19(23)22-24)13-28-11-10-18(20)30(25,26)16-8-6-15(7-9-16)29-12-14-4-2-3-5-17(14)21/h2-9,18,24H,10-13H2,1H3,(H,22,23)/t18-,20-/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 |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against aggrecanase |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50151752
((3S,4R)-4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfo...)Show SMILES CO[C@@]1(COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)NO Show InChI InChI=1S/C20H21Cl2NO7S/c1-28-20(19(24)23-25)12-29-9-8-18(20)31(26,27)16-6-4-15(5-7-16)30-11-13-2-3-14(21)10-17(13)22/h2-7,10,18,25H,8-9,11-12H2,1H3,(H,23,24)/t18-,20-/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 |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against aggrecanase |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50151736
(3-Hydroxy-4-(4-p-tolyloxy-benzenesulfonyl)-tetrahy...)Show SMILES Cc1ccc(Oc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)cc1 Show InChI InChI=1S/C19H21NO7S/c1-13-2-4-14(5-3-13)27-15-6-8-16(9-7-15)28(24,25)17-10-11-26-12-19(17,22)18(21)20-23/h2-9,17,22-23H,10-12H2,1H3,(H,20,21)/t17-,19-/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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 1 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50151742
((3S,4R)-3-Hydroxy-4-(2''-methyl-biphenyl-4-sulfony...)Show SMILES Cc1ccccc1-c1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO Show InChI InChI=1S/C19H21NO6S/c1-13-4-2-3-5-16(13)14-6-8-15(9-7-14)27(24,25)17-10-11-26-12-19(17,22)18(21)20-23/h2-9,17,22-23H,10-12H2,1H3,(H,20,21)/t17-,19-/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 | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 13 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50151743
((3S,4R)-4-[4-(2,3-Dichloro-benzyloxy)-benzenesulfo...)Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2cccc(Cl)c2Cl)cc1 Show InChI InChI=1S/C19H19Cl2NO7S/c20-15-3-1-2-12(17(15)21)10-29-13-4-6-14(7-5-13)30(26,27)16-8-9-28-11-19(16,24)18(23)22-25/h1-7,16,24-25H,8-11H2,(H,22,23)/t16-,19-/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 | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against aggrecanase |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50151732
(4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...)Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-2-1-12(16(21)9-13)10-29-14-3-5-15(6-4-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 150 | 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 14 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50151737
(3-Hydroxy-4-[4-(2-trifluoromethyl-benzyloxy)-benze...)Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccccc2C(F)(F)F)cc1 Show InChI InChI=1S/C20H20F3NO7S/c21-20(22,23)16-4-2-1-3-13(16)11-31-14-5-7-15(8-6-14)32(28,29)17-9-10-30-12-19(17,26)18(25)24-27/h1-8,17,26-27H,9-12H2,(H,24,25)/t17-,19-/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 | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against aggrecanase |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50151741
((3S,4R)-3-Hydroxy-4-(4-m-tolyloxy-benzenesulfonyl)...)Show SMILES Cc1cccc(Oc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)c1 Show InChI InChI=1S/C19H21NO7S/c1-13-3-2-4-15(11-13)27-14-5-7-16(8-6-14)28(24,25)17-9-10-26-12-19(17,22)18(21)20-23/h2-8,11,17,22-23H,9-10,12H2,1H3,(H,20,21)/t17-,19-/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 | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 1 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50151745
((3S,4R)-4-[4-(2,6-Dimethyl-benzyloxy)-benzenesulfo...)Show SMILES Cc1cccc(C)c1COc1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO Show InChI InChI=1S/C21H25NO7S/c1-14-4-3-5-15(2)18(14)12-29-16-6-8-17(9-7-16)30(26,27)19-10-11-28-13-21(19,24)20(23)22-25/h3-9,19,24-25H,10-13H2,1-2H3,(H,22,23)/t19-,21-/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 | >300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 13 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50151739
(4-[4-(2,5-Dimethyl-benzyloxy)-benzenesulfonyl]-3-h...)Show SMILES Cc1ccc(C)c(COc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)c1 Show InChI InChI=1S/C21H25NO7S/c1-14-3-4-15(2)16(11-14)12-29-17-5-7-18(8-6-17)30(26,27)19-9-10-28-13-21(19,24)20(23)22-25/h3-8,11,19,24-25H,9-10,12-13H2,1-2H3,(H,22,23)/t19-,21-/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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 13 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50151750
(4-[4-(2,6-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...)Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C19H19Cl2NO7S/c20-15-2-1-3-16(21)14(15)10-29-12-4-6-13(7-5-12)30(26,27)17-8-9-28-11-19(17,24)18(23)22-25/h1-7,17,24-25H,8-11H2,(H,22,23)/t17-,19-/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 | >300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 13 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50151734
((3S,4R)-4-[4-(4-Chloro-benzyloxy)-benzenesulfonyl]...)Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C19H20ClNO7S/c20-14-3-1-13(2-4-14)11-28-15-5-7-16(8-6-15)29(25,26)17-9-10-27-12-19(17,23)18(22)21-24/h1-8,17,23-24H,9-12H2,(H,21,22)/t17-,19-/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 | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against aggrecanase |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50151735
((3S,4R)-4-[4-(2,4-Dimethyl-benzyloxy)-benzenesulfo...)Show SMILES Cc1ccc(COc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)c(C)c1 Show InChI InChI=1S/C21H25NO7S/c1-14-3-4-16(15(2)11-14)12-29-17-5-7-18(8-6-17)30(26,27)19-9-10-28-13-21(19,24)20(23)22-25/h3-8,11,19,24-25H,9-10,12-13H2,1-2H3,(H,22,23)/t19-,21-/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 | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against aggrecanase |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50151732
(4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...)Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-2-1-12(16(21)9-13)10-29-14-3-5-15(6-4-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/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 | 920 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 1 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50151744
((3S,4R)-3-Hydroxy-4-[4-(3-methyl-benzyloxy)-benzen...)Show SMILES Cc1cccc(COc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)c1 Show InChI InChI=1S/C20H23NO7S/c1-14-3-2-4-15(11-14)12-28-16-5-7-17(8-6-16)29(25,26)18-9-10-27-13-20(18,23)19(22)21-24/h2-8,11,18,23-24H,9-10,12-13H2,1H3,(H,21,22)/t18-,20-/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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against aggrecanase |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50151736
(3-Hydroxy-4-(4-p-tolyloxy-benzenesulfonyl)-tetrahy...)Show SMILES Cc1ccc(Oc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)cc1 Show InChI InChI=1S/C19H21NO7S/c1-13-2-4-14(5-3-13)27-15-6-8-16(9-7-15)28(24,25)17-10-11-26-12-19(17,22)18(21)20-23/h2-9,17,22-23H,10-12H2,1H3,(H,20,21)/t17-,19-/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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against aggrecanase |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50151746
(4-[4-(3-Chloro-benzyloxy)-benzenesulfonyl]-3-hydro...)Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2cccc(Cl)c2)cc1 Show InChI InChI=1S/C19H20ClNO7S/c20-14-3-1-2-13(10-14)11-28-15-4-6-16(7-5-15)29(25,26)17-8-9-27-12-19(17,23)18(22)21-24/h1-7,10,17,23-24H,8-9,11-12H2,(H,21,22)/t17-,19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against aggrecanase |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50151741
((3S,4R)-3-Hydroxy-4-(4-m-tolyloxy-benzenesulfonyl)...)Show SMILES Cc1cccc(Oc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)c1 Show InChI InChI=1S/C19H21NO7S/c1-13-3-2-4-15(11-13)27-14-5-7-16(8-6-14)28(24,25)17-9-10-26-12-19(17,22)18(21)20-23/h2-8,11,17,22-23H,9-10,12H2,1H3,(H,20,21)/t17-,19-/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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against aggrecanase |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50151738
(3-Hydroxy-4-[4-(4-methyl-benzyloxy)-benzenesulfony...)Show SMILES Cc1ccc(COc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)cc1 Show InChI InChI=1S/C20H23NO7S/c1-14-2-4-15(5-3-14)12-28-16-6-8-17(9-7-16)29(25,26)18-10-11-27-13-20(18,23)19(22)21-24/h2-9,18,23-24H,10-13H2,1H3,(H,21,22)/t18-,20-/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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against aggrecanase |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50151750
(4-[4-(2,6-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...)Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C19H19Cl2NO7S/c20-15-2-1-3-16(21)14(15)10-29-12-4-6-13(7-5-12)30(26,27)17-8-9-28-11-19(17,24)18(23)22-25/h1-7,17,24-25H,8-11H2,(H,22,23)/t17-,19-/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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against aggrecanase |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50151751
(3-Hydroxy-4-(3''-methyl-biphenyl-4-sulfonyl)-tetra...)Show SMILES Cc1cccc(c1)-c1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO Show InChI InChI=1S/C19H21NO6S/c1-13-3-2-4-15(11-13)14-5-7-16(8-6-14)27(24,25)17-9-10-26-12-19(17,22)18(21)20-23/h2-8,11,17,22-23H,9-10,12H2,1H3,(H,20,21)/t17-,19-/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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against aggrecanase |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50151742
((3S,4R)-3-Hydroxy-4-(2''-methyl-biphenyl-4-sulfony...)Show SMILES Cc1ccccc1-c1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO Show InChI InChI=1S/C19H21NO6S/c1-13-4-2-3-5-16(13)14-6-8-15(9-7-14)27(24,25)17-10-11-26-12-19(17,22)18(21)20-23/h2-9,17,22-23H,10-12H2,1H3,(H,20,21)/t17-,19-/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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against aggrecanase |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50151745
((3S,4R)-4-[4-(2,6-Dimethyl-benzyloxy)-benzenesulfo...)Show SMILES Cc1cccc(C)c1COc1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO Show InChI InChI=1S/C21H25NO7S/c1-14-4-3-5-15(2)18(14)12-29-16-6-8-17(9-7-16)30(26,27)19-10-11-28-13-21(19,24)20(23)22-25/h3-9,19,24-25H,10-13H2,1-2H3,(H,22,23)/t19-,21-/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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against aggrecanase |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50151731
(3-Hydroxy-4-(4-o-tolyloxy-benzenesulfonyl)-tetrahy...)Show SMILES Cc1ccccc1Oc1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO Show InChI InChI=1S/C19H21NO7S/c1-13-4-2-3-5-16(13)27-14-6-8-15(9-7-14)28(24,25)17-10-11-26-12-19(17,22)18(21)20-23/h2-9,17,22-23H,10-12H2,1H3,(H,20,21)/t17-,19-/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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against aggrecanase |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50151740
((3S,4R)-3-Hydroxy-4-(4''-methyl-biphenyl-4-sulfony...)Show SMILES Cc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO Show InChI InChI=1S/C19H21NO6S/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)27(24,25)17-10-11-26-12-19(17,22)18(21)20-23/h2-9,17,22-23H,10-12H2,1H3,(H,20,21)/t17-,19-/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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against aggrecanase |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50151734
((3S,4R)-4-[4-(4-Chloro-benzyloxy)-benzenesulfonyl]...)Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C19H20ClNO7S/c20-14-3-1-13(2-4-14)11-28-15-5-7-16(8-6-15)29(25,26)17-9-10-27-12-19(17,23)18(22)21-24/h1-8,17,23-24H,9-12H2,(H,21,22)/t17-,19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 1 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50151733
((3S,4R)-4-[4-(2-Chloro-benzyloxy)-benzenesulfonyl]...)Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccccc2Cl)cc1 Show InChI InChI=1S/C19H20ClNO7S/c20-16-4-2-1-3-13(16)11-28-14-5-7-15(8-6-14)29(25,26)17-9-10-27-12-19(17,23)18(22)21-24/h1-8,17,23-24H,9-12H2,(H,21,22)/t17-,19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 1 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50151731
(3-Hydroxy-4-(4-o-tolyloxy-benzenesulfonyl)-tetrahy...)Show SMILES Cc1ccccc1Oc1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO Show InChI InChI=1S/C19H21NO7S/c1-13-4-2-3-5-16(13)27-14-6-8-15(9-7-14)28(24,25)17-10-11-26-12-19(17,22)18(21)20-23/h2-9,17,22-23H,10-12H2,1H3,(H,20,21)/t17-,19-/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 | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 1 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50151738
(3-Hydroxy-4-[4-(4-methyl-benzyloxy)-benzenesulfony...)Show SMILES Cc1ccc(COc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)cc1 Show InChI InChI=1S/C20H23NO7S/c1-14-2-4-15(5-3-14)12-28-16-6-8-17(9-7-16)29(25,26)18-10-11-27-13-20(18,23)19(22)21-24/h2-9,18,23-24H,10-13H2,1H3,(H,21,22)/t18-,20-/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 | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 1 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50151746
(4-[4-(3-Chloro-benzyloxy)-benzenesulfonyl]-3-hydro...)Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2cccc(Cl)c2)cc1 Show InChI InChI=1S/C19H20ClNO7S/c20-14-3-1-2-13(10-14)11-28-15-4-6-16(7-5-15)29(25,26)17-8-9-27-12-19(17,23)18(22)21-24/h1-7,10,17,23-24H,8-9,11-12H2,(H,21,22)/t17-,19-/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 | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 1 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50151742
((3S,4R)-3-Hydroxy-4-(2''-methyl-biphenyl-4-sulfony...)Show SMILES Cc1ccccc1-c1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO Show InChI InChI=1S/C19H21NO6S/c1-13-4-2-3-5-16(13)14-6-8-15(9-7-14)27(24,25)17-10-11-26-12-19(17,22)18(21)20-23/h2-9,17,22-23H,10-12H2,1H3,(H,20,21)/t17-,19-/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 | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 1 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50151748
(3-Hydroxy-4-[4-(2-methyl-benzyloxy)-benzenesulfony...)Show SMILES Cc1ccccc1COc1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO Show InChI InChI=1S/C20H23NO7S/c1-14-4-2-3-5-15(14)12-28-16-6-8-17(9-7-16)29(25,26)18-10-11-27-13-20(18,23)19(22)21-24/h2-9,18,23-24H,10-13H2,1H3,(H,21,22)/t18-,20-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 1 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50151743
((3S,4R)-4-[4-(2,3-Dichloro-benzyloxy)-benzenesulfo...)Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2cccc(Cl)c2Cl)cc1 Show InChI InChI=1S/C19H19Cl2NO7S/c20-15-3-1-2-12(17(15)21)10-29-13-4-6-14(7-5-13)30(26,27)16-8-9-28-11-19(16,24)18(23)22-25/h1-7,16,24-25H,8-11H2,(H,22,23)/t16-,19-/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 | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 1 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50151735
((3S,4R)-4-[4-(2,4-Dimethyl-benzyloxy)-benzenesulfo...)Show SMILES Cc1ccc(COc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)c(C)c1 Show InChI InChI=1S/C21H25NO7S/c1-14-3-4-16(15(2)11-14)12-29-17-5-7-18(8-6-17)30(26,27)19-9-10-28-13-21(19,24)20(23)22-25/h3-8,11,19,24-25H,9-10,12-13H2,1-2H3,(H,22,23)/t19-,21-/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 | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 1 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50151744
((3S,4R)-3-Hydroxy-4-[4-(3-methyl-benzyloxy)-benzen...)Show SMILES Cc1cccc(COc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)c1 Show InChI InChI=1S/C20H23NO7S/c1-14-3-2-4-15(11-14)12-28-16-5-7-17(8-6-16)29(25,26)18-9-10-27-13-20(18,23)19(22)21-24/h2-8,11,18,23-24H,9-10,12-13H2,1H3,(H,21,22)/t18-,20-/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 | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 1 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50151747
((3S,4R)-4-[4-(2,5-Dichloro-benzyloxy)-benzenesulfo...)Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2cc(Cl)ccc2Cl)cc1 Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-1-6-16(21)12(9-13)10-29-14-2-4-15(5-3-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/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 | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 1 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50113022
((2R,4S)-1-[4-(2-Chloro-benzyloxy)-benzenesulfonyl]...)Show SMILES ONC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccccc2Cl)cc1 Show InChI InChI=1S/C19H21ClN2O6S/c20-17-4-2-1-3-13(17)12-28-15-5-7-16(8-6-15)29(26,27)22-10-9-14(23)11-18(22)19(24)21-25/h1-8,14,18,23,25H,9-12H2,(H,21,24)/t14-,18+/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 | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 1 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50151750
(4-[4-(2,6-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...)Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C19H19Cl2NO7S/c20-15-2-1-3-16(21)14(15)10-29-12-4-6-13(7-5-12)30(26,27)17-8-9-28-11-19(17,24)18(23)22-25/h1-7,17,24-25H,8-11H2,(H,22,23)/t17-,19-/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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 1 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50151737
(3-Hydroxy-4-[4-(2-trifluoromethyl-benzyloxy)-benze...)Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccccc2C(F)(F)F)cc1 Show InChI InChI=1S/C20H20F3NO7S/c21-20(22,23)16-4-2-1-3-13(16)11-31-14-5-7-15(8-6-14)32(28,29)17-9-10-30-12-19(17,26)18(25)24-27/h1-8,17,26-27H,9-12H2,(H,24,25)/t17-,19-/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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 1 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50151745
((3S,4R)-4-[4-(2,6-Dimethyl-benzyloxy)-benzenesulfo...)Show SMILES Cc1cccc(C)c1COc1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO Show InChI InChI=1S/C21H25NO7S/c1-14-4-3-5-15(2)18(14)12-29-16-6-8-17(9-7-16)30(26,27)19-10-11-28-13-21(19,24)20(23)22-25/h3-9,19,24-25H,10-13H2,1-2H3,(H,22,23)/t19-,21-/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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 1 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50151739
(4-[4-(2,5-Dimethyl-benzyloxy)-benzenesulfonyl]-3-h...)Show SMILES Cc1ccc(C)c(COc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)c1 Show InChI InChI=1S/C21H25NO7S/c1-14-3-4-15(2)16(11-14)12-29-17-5-7-18(8-6-17)30(26,27)19-9-10-28-13-21(19,24)20(23)22-25/h3-8,11,19,24-25H,9-10,12-13H2,1-2H3,(H,22,23)/t19-,21-/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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against matrix metalloprotease 1 |
Bioorg Med Chem Lett 14: 4727-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP |
More data for this Ligand-Target Pair | |