Found 967 hits of ic50 data for polymerid = 1250 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 |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50389100
(CHEMBL2064547)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cn(CCF)nn1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C17H24FN5O5S/c1-12(2)16(17(24)20-25)23(11-13-10-22(9-8-18)21-19-13)29(26,27)15-6-4-14(28-3)5-7-15/h4-7,10,12,16,25H,8-9,11H2,1-3H3,(H,20,24)/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 | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital M£nster
Curated by ChEMBL
| Assay Description Inhibition of MMP8 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incuba... |
J Med Chem 55: 4714-27 (2012)
Article DOI: 10.1021/jm300199g BindingDB Entry DOI: 10.7270/Q2GQ6ZTT |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50389101
(CHEMBL2064548)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cn(CCOCCOCCOCCOS(=O)(=O)c2ccc(C)cc2)nn1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C30H43N5O11S2/c1-23(2)29(30(36)32-37)35(47(38,39)27-11-7-26(42-4)8-12-27)22-25-21-34(33-31-25)13-14-43-15-16-44-17-18-45-19-20-46-48(40,41)28-9-5-24(3)6-10-28/h5-12,21,23,29,37H,13-20,22H2,1-4H3,(H,32,36)/t29-/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 | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital M£nster
Curated by ChEMBL
| Assay Description Inhibition of MMP8 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incuba... |
J Med Chem 55: 4714-27 (2012)
Article DOI: 10.1021/jm300199g BindingDB Entry DOI: 10.7270/Q2GQ6ZTT |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50389096
(CHEMBL2064549)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cn(CCOCCOCCOCCF)nn1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C23H36FN5O8S/c1-18(2)22(23(30)26-31)29(38(32,33)21-6-4-20(34-3)5-7-21)17-19-16-28(27-25-19)9-11-36-13-15-37-14-12-35-10-8-24/h4-7,16,18,22,31H,8-15,17H2,1-3H3,(H,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 | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital M£nster
Curated by ChEMBL
| Assay Description Inhibition of MMP8 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incuba... |
J Med Chem 55: 4714-27 (2012)
Article DOI: 10.1021/jm300199g BindingDB Entry DOI: 10.7270/Q2GQ6ZTT |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50031795
((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid UniChem
Patents
Similars
| MMDB Article PubMed
| n/a | n/a | 0.0460 | n/a | n/a | n/a | n/a | n/a | n/a |
Università G. d'Annunzio
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MMP8 |
Eur J Med Chem 43: 1008-14 (2008)
Article DOI: 10.1016/j.ejmech.2007.07.002 BindingDB Entry DOI: 10.7270/Q23T9H1W |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50493268
(CHEMBL2425938)Show SMILES CC(C)[C@@H](N(CCn1cc(CCCCOc2cccnc2F)nn1)S(=O)(=O)c1ccc(OCCF)cc1)C(=O)NO |r| Show InChI InChI=1S/C26H34F2N6O6S/c1-19(2)24(26(35)31-36)34(41(37,38)22-10-8-21(9-11-22)39-17-12-27)15-14-33-18-20(30-32-33)6-3-4-16-40-23-7-5-13-29-25(23)28/h5,7-11,13,18-19,24,36H,3-4,6,12,14-17H2,1-2H3,(H,31,35)/t24-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital M£nster
Curated by ChEMBL
| Assay Description Inhibition of MMP-8 (unknown origin) using 7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 a... |
J Med Chem 56: 6858-70 (2013)
Article DOI: 10.1021/jm4006753 BindingDB Entry DOI: 10.7270/Q2TF018J |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM11863
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1 Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.0970 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of APMA-activated recombinant human MMP-8 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric m... |
J Med Chem 60: 608-626 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01007 BindingDB Entry DOI: 10.7270/Q2W95CF2 |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM11863
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1 Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.0970 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MMP8 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry |
J Med Chem 57: 8886-902 (2014)
Article DOI: 10.1021/jm500981k BindingDB Entry DOI: 10.7270/Q28P628P |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM11863
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1 Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.0970 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of recombinant human AMPA-activated MMP8 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method |
Bioorg Med Chem 24: 6149-6165 (2016)
Article DOI: 10.1016/j.bmc.2016.09.009 BindingDB Entry DOI: 10.7270/Q2H1341V |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM11863
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1 Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.0970 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MMP8 using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay |
Bioorg Med Chem 22: 5487-505 (2014)
Article DOI: 10.1016/j.bmc.2014.07.025 BindingDB Entry DOI: 10.7270/Q27S7QBJ |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50389106
(CHEMBL2064542)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCOCCOCCOCCOCC#C)cc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C30H42N2O10S/c1-5-14-38-15-16-39-17-18-40-19-20-41-21-22-42-27-8-6-25(7-9-27)23-32(29(24(2)3)30(33)31-34)43(35,36)28-12-10-26(37-4)11-13-28/h1,6-13,24,29,34H,14-23H2,2-4H3,(H,31,33)/t29-/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 | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital M£nster
Curated by ChEMBL
| Assay Description Inhibition of MMP8 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incuba... |
J Med Chem 55: 4714-27 (2012)
Article DOI: 10.1021/jm300199g BindingDB Entry DOI: 10.7270/Q2GQ6ZTT |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50493279
(CHEMBL2425943)Show SMILES CC(C)[C@@H](N(Cc1cn(CCOCCOCCOCCF)nn1)S(=O)(=O)c1ccc(OCCF)cc1)C(=O)NO |r| Show InChI InChI=1S/C24H37F2N5O8S/c1-19(2)23(24(32)28-33)31(40(34,35)22-5-3-21(4-6-22)39-11-8-26)18-20-17-30(29-27-20)9-12-37-14-16-38-15-13-36-10-7-25/h3-6,17,19,23,33H,7-16,18H2,1-2H3,(H,28,32)/t23-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital M£nster
Curated by ChEMBL
| Assay Description Inhibition of MMP-8 (unknown origin) using 7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 a... |
J Med Chem 56: 6858-70 (2013)
Article DOI: 10.1021/jm4006753 BindingDB Entry DOI: 10.7270/Q2TF018J |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50082965
((2R,3S)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-p...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](NCc1cccc2cccnc12)C(=O)NO)C(C)(C)C Show InChI InChI=1S/C25H37N5O4/c1-15(2)13-18(22(31)29-21(24(33)26-6)25(3,4)5)20(23(32)30-34)28-14-17-10-7-9-16-11-8-12-27-19(16)17/h7-12,15,18,20-21,28,34H,13-14H2,1-6H3,(H,26,33)(H,29,31)(H,30,32)/t18-,20+,21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description Inhibition of MMP-8 (matrix metalloproteinase-8) |
J Med Chem 42: 4890-908 (1999)
BindingDB Entry DOI: 10.7270/Q2HM57NS |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50389107
(CHEMBL2064541)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCOCCOCCOCCOCc2cn(CCF)nn2)cc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C32H46FN5O10S/c1-25(2)31(32(39)35-40)38(49(41,42)30-10-8-28(43-3)9-11-30)22-26-4-6-29(7-5-26)48-21-20-46-17-16-44-14-15-45-18-19-47-24-27-23-37(13-12-33)36-34-27/h4-11,23,25,31,40H,12-22,24H2,1-3H3,(H,35,39)/t31-/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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital M£nster
Curated by ChEMBL
| Assay Description Inhibition of MMP8 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incuba... |
J Med Chem 55: 4714-27 (2012)
Article DOI: 10.1021/jm300199g BindingDB Entry DOI: 10.7270/Q2GQ6ZTT |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50493277
(CHEMBL2425950)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCn1cc(CNS(=O)(=O)c2ccc(F)cc2)nn1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C23H29FN6O7S2/c1-16(2)22(23(31)27-32)30(39(35,36)21-10-6-19(37-3)7-11-21)13-12-29-15-18(26-28-29)14-25-38(33,34)20-8-4-17(24)5-9-20/h4-11,15-16,22,25,32H,12-14H2,1-3H3,(H,27,31)/t22-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital M£nster
Curated by ChEMBL
| Assay Description Inhibition of MMP-8 (unknown origin) using 7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 a... |
J Med Chem 56: 6858-70 (2013)
Article DOI: 10.1021/jm4006753 BindingDB Entry DOI: 10.7270/Q2TF018J |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50246599
(CHEMBL471537 | N-(4-Phenoxybenzenesulfonyl)-N-{[2-...)Show SMILES CC(C)[C@@H](N(CC(=O)NCCc1ccc(cc1)S(N)(=O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r| Show InChI InChI=1S/C27H32N4O8S2/c1-19(2)26(27(33)30-34)31(18-25(32)29-17-16-20-8-12-23(13-9-20)40(28,35)36)41(37,38)24-14-10-22(11-15-24)39-21-6-4-3-5-7-21/h3-15,19,26,34H,16-18H2,1-2H3,(H,29,32)(H,30,33)(H2,28,35,36)/t26-/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 | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto Superior Técnico
Curated by ChEMBL
| Assay Description Inhibition of MMP8 |
J Med Chem 51: 7968-79 (2008)
Article DOI: 10.1021/jm800964f BindingDB Entry DOI: 10.7270/Q2XK8FDN |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50493275
(CHEMBL2425941)Show SMILES CC(C)[C@@H](N(CC#N)S(=O)(=O)c1ccc(OCCF)cc1)C(=O)NO |r| Show InChI InChI=1S/C15H20FN3O5S/c1-11(2)14(15(20)18-21)19(9-8-17)25(22,23)13-5-3-12(4-6-13)24-10-7-16/h3-6,11,14,21H,7,9-10H2,1-2H3,(H,18,20)/t14-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital M£nster
Curated by ChEMBL
| Assay Description Inhibition of MMP-8 (unknown origin) using 7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 a... |
J Med Chem 56: 6858-70 (2013)
Article DOI: 10.1021/jm4006753 BindingDB Entry DOI: 10.7270/Q2TF018J |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50493274
(CHEMBL2425944)Show SMILES CC(C)[C@@H](N(Cc1cn(CCOCCOCCOCCOc2cccnc2F)nn1)S(=O)(=O)c1ccc(OCCF)cc1)C(=O)NO |r| Show InChI InChI=1S/C29H40F2N6O9S/c1-22(2)27(29(38)34-39)37(47(40,41)25-7-5-24(6-8-25)45-12-9-30)21-23-20-36(35-33-23)11-13-42-14-15-43-16-17-44-18-19-46-26-4-3-10-32-28(26)31/h3-8,10,20,22,27,39H,9,11-19,21H2,1-2H3,(H,34,38)/t27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital M£nster
Curated by ChEMBL
| Assay Description Inhibition of MMP-8 (unknown origin) using 7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 a... |
J Med Chem 56: 6858-70 (2013)
Article DOI: 10.1021/jm4006753 BindingDB Entry DOI: 10.7270/Q2TF018J |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50198038
(CHEMBL227824 | [(R)-1-(4'-ethoxy-biphenyl-4-sulfon...)Show SMILES CCOc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O Show InChI InChI=1S/C18H24NO6PS/c1-4-25-16-9-5-14(6-10-16)15-7-11-17(12-8-15)27(23,24)19-18(13(2)3)26(20,21)22/h5-13,18-19H,4H2,1-3H3,(H2,20,21,22)/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 | 0.370 | n/a | n/a | n/a | n/a | n/a | n/a |
Università "G. d'Annunzio"
Curated by ChEMBL
| Assay Description Inhibition of MMP8 |
Bioorg Med Chem 15: 791-9 (2006)
Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50198033
(CHEMBL227484 | [(R)-2-methyl-1-(4'-methyl-biphenyl...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(C)cc1)P(O)(O)=O Show InChI InChI=1S/C17H22NO5PS/c1-12(2)17(24(19,20)21)18-25(22,23)16-10-8-15(9-11-16)14-6-4-13(3)5-7-14/h4-12,17-18H,1-3H3,(H2,19,20,21)/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 | 0.390 | n/a | n/a | n/a | n/a | n/a | n/a |
Università "G. d'Annunzio"
Curated by ChEMBL
| Assay Description Inhibition of MMP8 |
Bioorg Med Chem 15: 791-9 (2006)
Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50198033
(CHEMBL227484 | [(R)-2-methyl-1-(4'-methyl-biphenyl...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(C)cc1)P(O)(O)=O Show InChI InChI=1S/C17H22NO5PS/c1-12(2)17(24(19,20)21)18-25(22,23)16-10-8-15(9-11-16)14-6-4-13(3)5-7-14/h4-12,17-18H,1-3H3,(H2,19,20,21)/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 | 0.390 | n/a | n/a | n/a | n/a | n/a | n/a |
Università "G. d'Annunzio"
Curated by ChEMBL
| Assay Description Inhibition of MMP8 |
Bioorg Med Chem 15: 791-9 (2006)
Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50273426
(CHEMBL515980 | N-(4-Phenoxybenzenesulfonyl)-N-hydr...)Show SMILES CC(C)[C@@H](N(CC(O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r| Show InChI InChI=1S/C19H22N2O7S/c1-13(2)18(19(24)20-25)21(12-17(22)23)29(26,27)16-10-8-15(9-11-16)28-14-6-4-3-5-7-14/h3-11,13,18,25H,12H2,1-2H3,(H,20,24)(H,22,23)/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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto Superior Técnico
Curated by ChEMBL
| Assay Description Inhibition of MMP8 |
J Med Chem 51: 7968-79 (2008)
Article DOI: 10.1021/jm800964f BindingDB Entry DOI: 10.7270/Q2XK8FDN |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50493269
(CHEMBL2425936)Show SMILES CC(C)[C@@H](N(CCn1cc(CCCF)nn1)S(=O)(=O)c1ccc(OCCF)cc1)C(=O)NO |r| Show InChI InChI=1S/C20H29F2N5O5S/c1-15(2)19(20(28)24-29)27(12-11-26-14-16(23-25-26)4-3-9-21)33(30,31)18-7-5-17(6-8-18)32-13-10-22/h5-8,14-15,19,29H,3-4,9-13H2,1-2H3,(H,24,28)/t19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital M£nster
Curated by ChEMBL
| Assay Description Inhibition of MMP-8 (unknown origin) using 7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 a... |
J Med Chem 56: 6858-70 (2013)
Article DOI: 10.1021/jm4006753 BindingDB Entry DOI: 10.7270/Q2TF018J |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50348676
(CHEMBL1801044)Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C18H19NO6S/c20-17(19-21)18(10-12-24-13-11-18)26(22,23)16-8-6-15(7-9-16)25-14-4-2-1-3-5-14/h1-9,21H,10-13H2,(H,19,20) | 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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP8 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay |
J Med Chem 53: 6653-80 (2010)
Article DOI: 10.1021/jm100669j BindingDB Entry DOI: 10.7270/Q2KH0NQB |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50348669
(CHEMBL1801054)Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(Oc2ccc(SC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C19H18F3NO6S2/c20-19(21,22)30-15-5-1-13(2-6-15)29-14-3-7-16(8-4-14)31(26,27)18(17(24)23-25)9-11-28-12-10-18/h1-8,25H,9-12H2,(H,23,24) | 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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP8 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay |
J Med Chem 53: 6653-80 (2010)
Article DOI: 10.1021/jm100669j BindingDB Entry DOI: 10.7270/Q2KH0NQB |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50198035
(CHEMBL227501 | [(R)-2-methyl-1-(3'-methyl-biphenyl...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(C)c1)P(O)(O)=O Show InChI InChI=1S/C17H22NO5PS/c1-12(2)17(24(19,20)21)18-25(22,23)16-9-7-14(8-10-16)15-6-4-5-13(3)11-15/h4-12,17-18H,1-3H3,(H2,19,20,21)/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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Università "G. d'Annunzio"
Curated by ChEMBL
| Assay Description Inhibition of MMP8 |
Bioorg Med Chem 15: 791-9 (2006)
Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50493278
(CHEMBL2425947)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCn1cc(CCCF)nn1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C19H28FN5O5S/c1-14(2)18(19(26)22-27)25(12-11-24-13-15(21-23-24)5-4-10-20)31(28,29)17-8-6-16(30-3)7-9-17/h6-9,13-14,18,27H,4-5,10-12H2,1-3H3,(H,22,26)/t18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital M£nster
Curated by ChEMBL
| Assay Description Inhibition of MMP-8 (unknown origin) using 7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 a... |
J Med Chem 56: 6858-70 (2013)
Article DOI: 10.1021/jm4006753 BindingDB Entry DOI: 10.7270/Q2TF018J |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50348677
(CHEMBL1801399)Show SMILES CC(C)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C22H25F3N2O6S/c1-15(2)27-13-11-21(12-14-27,20(28)26-29)34(30,31)19-9-7-17(8-10-19)32-16-3-5-18(6-4-16)33-22(23,24)25/h3-10,15,29H,11-14H2,1-2H3,(H,26,28) | 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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP8 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay |
J Med Chem 53: 6653-80 (2010)
Article DOI: 10.1021/jm100669j BindingDB Entry DOI: 10.7270/Q2KH0NQB |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50148208
(3-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-8-ox...)Show SMILES ONC(=O)C1(CC2CCC(C1)O2)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1 Show InChI InChI=1S/C20H21FN2O6S/c21-13-1-3-14(4-2-13)28-15-7-9-18(10-8-15)30(26,27)23-20(19(24)22-25)11-16-5-6-17(12-20)29-16/h1-4,7-10,16-17,23,25H,5-6,11-12H2,(H,22,24) | 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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-8 |
Bioorg Med Chem Lett 14: 3389-95 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.083 BindingDB Entry DOI: 10.7270/Q25Q4WPN |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50063917
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r| Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PubMed
| n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of Matrix metalloprotease-8 (MMP-8) in fluorimetric assay |
J Med Chem 45: 219-32 (2001)
BindingDB Entry DOI: 10.7270/Q2XP747B |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50063917
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r| Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank
| n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50493272
(CHEMBL2425949)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCn1cc(CCCCOc2cccnc2F)nn1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C25H33FN6O6S/c1-18(2)23(25(33)29-34)32(39(35,36)21-11-9-20(37-3)10-12-21)15-14-31-17-19(28-30-31)7-4-5-16-38-22-8-6-13-27-24(22)26/h6,8-13,17-18,23,34H,4-5,7,14-16H2,1-3H3,(H,29,33)/t23-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital M£nster
Curated by ChEMBL
| Assay Description Inhibition of MMP-8 (unknown origin) using 7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 a... |
J Med Chem 56: 6858-70 (2013)
Article DOI: 10.1021/jm4006753 BindingDB Entry DOI: 10.7270/Q2TF018J |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50102477
(4-[Carboxy-(4'-methoxy-biphenyl-4-sulfonylamino)-m...)Show SMILES COCCOC(=O)N1CCC(CC1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O Show InChI InChI=1S/C24H30N2O8S/c1-32-15-16-34-24(29)26-13-11-19(12-14-26)22(23(27)28)25-35(30,31)21-9-5-18(6-10-21)17-3-7-20(33-2)8-4-17/h3-10,19,22,25H,11-16H2,1-2H3,(H,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against matrix metalloprotease-8 |
J Med Chem 44: 2499-502 (2001)
BindingDB Entry DOI: 10.7270/Q2Z89D47 |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50389104
(CHEMBL2064552)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1F)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C21H30FN5O9S/c1-11(2)17(20(31)24-32)27(37(33,34)14-6-4-13(35-3)5-7-14)9-12-8-26(25-23-12)21-16(22)19(30)18(29)15(10-28)36-21/h4-8,11,15-19,21,28-30,32H,9-10H2,1-3H3,(H,24,31)/t15-,16-,17-,18-,19-,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 | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital M£nster
Curated by ChEMBL
| Assay Description Inhibition of MMP8 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incuba... |
J Med Chem 55: 4714-27 (2012)
Article DOI: 10.1021/jm300199g BindingDB Entry DOI: 10.7270/Q2GQ6ZTT |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50082556
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1 Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.540 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of Matrix metalloprotease-8 (MMP-8) in fluorimetric assay |
J Med Chem 45: 219-32 (2001)
BindingDB Entry DOI: 10.7270/Q2XP747B |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50129986
((4-Benzyl-benzyl)-[4-(4-chloro-phenyl)-2-((S)-2,2-...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccc(Cl)cc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C32H40ClN2O4P/c1-32(2,3)29(31(37)34-4)35-30(36)27(17-14-23-15-18-28(33)19-16-23)22-40(38,39)21-26-12-10-25(11-13-26)20-24-8-6-5-7-9-24/h5-13,15-16,18-19,27,29H,14,17,20-22H2,1-4H3,(H,34,37)(H,35,36)(H,38,39)/t27?,29-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.560 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-8 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50610465
(CHEMBL5288452) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| UniChem
| | n/a | n/a | 0.567 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50082548
((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCCCSC(C)(C)[C@@H]1C(=O)NO Show InChI InChI=1S/C17H26N2O5S2/c1-17(2)15(16(20)18-21)19(11-5-4-6-12-25-17)26(22,23)14-9-7-13(24-3)8-10-14/h7-10,15,21H,4-6,11-12H2,1-3H3,(H,18,20)/t15-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of neutrophil collagenase (Matrix metalloprotease-8) |
J Med Chem 42: 4547-62 (1999)
BindingDB Entry DOI: 10.7270/Q2D79C32 |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50348650
(CHEMBL1801431)Show SMILES ONC(=O)C1(CCN(Cc2ccccn2)CC1)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C25H24F3N3O6S/c26-25(27,28)37-21-6-4-19(5-7-21)36-20-8-10-22(11-9-20)38(34,35)24(23(32)30-33)12-15-31(16-13-24)17-18-3-1-2-14-29-18/h1-11,14,33H,12-13,15-17H2,(H,30,32) | 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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP8 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay |
J Med Chem 53: 6653-80 (2010)
Article DOI: 10.1021/jm100669j BindingDB Entry DOI: 10.7270/Q2KH0NQB |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50254802
(CHEMBL4088630)Show InChI InChI=1S/C14H20N2O5S2/c1-14(2)12(13(17)15-18)16(8-9-22-14)23(19,20)11-6-4-10(21-3)5-7-11/h4-7,12,18H,8-9H2,1-3H3,(H,15,17) | 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 | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Sciences, College of Pharmacy and Health Sciences , St. John's University , Queens , New York 11439 , United States.
Curated by ChEMBL
| Assay Description Inhibition of MMP8 (unknown origin) expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 min... |
J Med Chem 61: 2166-2210 (2018)
Article DOI: 10.1021/acs.jmedchem.7b00315 BindingDB Entry DOI: 10.7270/Q2B56N68 |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50493267
(CHEMBL2425939)Show SMILES CC(C)[C@@H](N(CCn1cc(CNS(=O)(=O)c2ccc(F)cc2)nn1)S(=O)(=O)c1ccc(OCCF)cc1)C(=O)NO |r| Show InChI InChI=1S/C24H30F2N6O7S2/c1-17(2)23(24(33)29-34)32(41(37,38)22-9-5-20(6-10-22)39-14-11-25)13-12-31-16-19(28-30-31)15-27-40(35,36)21-7-3-18(26)4-8-21/h3-10,16-17,23,27,34H,11-15H2,1-2H3,(H,29,33)/t23-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital M£nster
Curated by ChEMBL
| Assay Description Inhibition of MMP-8 (unknown origin) using 7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 a... |
J Med Chem 56: 6858-70 (2013)
Article DOI: 10.1021/jm4006753 BindingDB Entry DOI: 10.7270/Q2TF018J |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50348652
(CHEMBL1801429)Show SMILES ONC(=O)C1(CCNCC1)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C19H19F3N2O6S/c20-19(21,22)30-15-3-1-13(2-4-15)29-14-5-7-16(8-6-14)31(27,28)18(17(25)24-26)9-11-23-12-10-18/h1-8,23,26H,9-12H2,(H,24,25) | 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 | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP8 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay |
J Med Chem 53: 6653-80 (2010)
Article DOI: 10.1021/jm100669j BindingDB Entry DOI: 10.7270/Q2KH0NQB |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50082537
((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-thi...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO Show InChI InChI=1S/C14H20N2O5S2/c1-14(2)12(13(17)15-18)16(8-9-22-14)23(19,20)11-6-4-10(21-3)5-7-11/h4-7,12,18H,8-9H2,1-3H3,(H,15,17)/t12-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of neutrophil collagenase (Matrix metalloprotease-8) |
J Med Chem 42: 4547-62 (1999)
BindingDB Entry DOI: 10.7270/Q2D79C32 |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50241252
(2-[hydroxycarbamoylmethyl-(4-phenoxy-benzenesulfon...)Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 Show InChI InChI=1S/C24H26N4O8S2/c25-37(32,33)21-10-6-18(7-11-21)14-15-26-23(29)16-28(17-24(30)27-31)38(34,35)22-12-8-20(9-13-22)36-19-4-2-1-3-5-19/h1-13,31H,14-17H2,(H,26,29)(H,27,30)(H2,25,32,33) | 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 | 0.740 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto Superior Técnico
Curated by ChEMBL
| Assay Description Inhibition of MMP8 |
J Med Chem 51: 7968-79 (2008)
Article DOI: 10.1021/jm800964f BindingDB Entry DOI: 10.7270/Q2XK8FDN |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50090259
((4-Benzyl-benzyl)-[2-((S)-2,2-dimethyl-1-methylcar...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C32H41N2O4P/c1-32(2,3)29(31(36)33-4)34-30(35)28(20-19-24-11-7-5-8-12-24)23-39(37,38)22-27-17-15-26(16-18-27)21-25-13-9-6-10-14-25/h5-18,28-29H,19-23H2,1-4H3,(H,33,36)(H,34,35)(H,37,38)/t28?,29-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.770 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-8 |
Bioorg Med Chem Lett 13: 2331-6 (2003)
BindingDB Entry DOI: 10.7270/Q2571CJP |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50198034
(CHEMBL376557 | [(R)-1-(4'-chloro-biphenyl-4-sulfon...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)P(O)(O)=O Show InChI InChI=1S/C16H19ClNO5PS/c1-11(2)16(24(19,20)21)18-25(22,23)15-9-5-13(6-10-15)12-3-7-14(17)8-4-12/h3-11,16,18H,1-2H3,(H2,19,20,21)/t16-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.810 | n/a | n/a | n/a | n/a | n/a | n/a |
Università "G. d'Annunzio"
Curated by ChEMBL
| Assay Description Inhibition of MMP8 |
Bioorg Med Chem 15: 791-9 (2006)
Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50203953
(CHEMBL3932562)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1)C(=O)NO |r| Show InChI InChI=1S/C27H27N5O6S/c1-16(2)23(26(34)31-36)32-39(37,38)20-12-10-18(11-13-20)19-7-5-6-17(14-19)15-28-27(35)24-29-22-9-4-3-8-21(22)25(33)30-24/h3-14,16,23,32,36H,15H2,1-2H3,(H,28,35)(H,31,34)(H,29,30,33)/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 | 0.820 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Inhibition of recombinant human AMPA-activated MMP8 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method |
Bioorg Med Chem 24: 6149-6165 (2016)
Article DOI: 10.1016/j.bmc.2016.09.009 BindingDB Entry DOI: 10.7270/Q2H1341V |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50348670
(CHEMBL1801052)Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C19H18F3NO7S/c20-19(21,22)30-15-3-1-13(2-4-15)29-14-5-7-16(8-6-14)31(26,27)18(17(24)23-25)9-11-28-12-10-18/h1-8,25H,9-12H2,(H,23,24) | 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 | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP8 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay |
J Med Chem 53: 6653-80 (2010)
Article DOI: 10.1021/jm100669j BindingDB Entry DOI: 10.7270/Q2KH0NQB |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50225411
((R)-2-(N-((6-fluoropyridin-3-yl)methyl)-4-methoxyp...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(F)nc1)[C@H](C(C)C)C(=O)NO Show InChI InChI=1S/C18H22FN3O5S/c1-12(2)17(18(23)21-24)22(11-13-4-9-16(19)20-10-13)28(25,26)15-7-5-14(27-3)6-8-15/h4-10,12,17,24H,11H2,1-3H3,(H,21,23)/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 | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital of the Westf£lische Wilhelms-Universit£t M£nster
Curated by ChEMBL
| Assay Description Inhibition of MMP8 |
J Med Chem 50: 5752-64 (2007)
Article DOI: 10.1021/jm0708533 BindingDB Entry DOI: 10.7270/Q2J38TCH |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50493281
(CHEMBL2425932)Show SMILES CC(C)[C@@H](N(CCn1cc(CCCF)nn1)S(=O)(=O)c1ccc(C)cc1)C(=O)NO |r| Show InChI InChI=1S/C19H28FN5O4S/c1-14(2)18(19(26)22-27)25(30(28,29)17-8-6-15(3)7-9-17)12-11-24-13-16(21-23-24)5-4-10-20/h6-9,13-14,18,27H,4-5,10-12H2,1-3H3,(H,22,26)/t18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital M£nster
Curated by ChEMBL
| Assay Description Inhibition of MMP-8 (unknown origin) using 7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 a... |
J Med Chem 56: 6858-70 (2013)
Article DOI: 10.1021/jm4006753 BindingDB Entry DOI: 10.7270/Q2TF018J |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50493280
(CHEMBL2425935)Show SMILES CC(C)[C@@H](N(CCN=[N+]=[N-])S(=O)(=O)c1ccc(OCCF)cc1)C(=O)NO |r| Show InChI InChI=1S/C15H22FN5O5S/c1-11(2)14(15(22)19-23)21(9-8-18-20-17)27(24,25)13-5-3-12(4-6-13)26-10-7-16/h3-6,11,14,23H,7-10H2,1-2H3,(H,19,22)/t14-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital M£nster
Curated by ChEMBL
| Assay Description Inhibition of MMP-8 (unknown origin) using 7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 a... |
J Med Chem 56: 6858-70 (2013)
Article DOI: 10.1021/jm4006753 BindingDB Entry DOI: 10.7270/Q2TF018J |
More data for this Ligand-Target Pair | |