Found 52 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)) | BDBM50424987
(CHEMBL2311774)Show SMILES O=C(CCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C46H46N8O10/c55-37(51-23-7-25-53(29-27-51)45(39(57)47-43(61)48-40(45)58)31-13-17-35(18-14-31)63-33-9-3-1-4-10-33)21-22-38(56)52-24-8-26-54(30-28-52)46(41(59)49-44(62)50-42(46)60)32-15-19-36(20-16-32)64-34-11-5-2-6-12-34/h1-6,9-20H,7-8,21-30H2,(H2,47,48,57,58,61)(H2,49,50,59,60,62) | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-13 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50424995
(CHEMBL2311772)Show SMILES CCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C25H28N4O5/c1-2-7-21(30)28-14-6-15-29(17-16-28)25(22(31)26-24(33)27-23(25)32)18-10-12-20(13-11-18)34-19-8-4-3-5-9-19/h3-5,8-13H,2,6-7,14-17H2,1H3,(H2,26,27,31,32,33) | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-9 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50424995
(CHEMBL2311772)Show SMILES CCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C25H28N4O5/c1-2-7-21(30)28-14-6-15-29(17-16-28)25(22(31)26-24(33)27-23(25)32)18-10-12-20(13-11-18)34-19-8-4-3-5-9-19/h3-5,8-13H,2,6-7,14-17H2,1H3,(H2,26,27,31,32,33) | 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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-2 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50424985
(CHEMBL2311776)Show SMILES O=C(CCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C48H50N8O10/c57-39(53-25-9-27-55(31-29-53)47(41(59)49-45(63)50-42(47)60)33-17-21-37(22-18-33)65-35-11-3-1-4-12-35)15-7-8-16-40(58)54-26-10-28-56(32-30-54)48(43(61)51-46(64)52-44(48)62)34-19-23-38(24-20-34)66-36-13-5-2-6-14-36/h1-6,11-14,17-24H,7-10,15-16,25-32H2,(H2,49,50,59,60,63)(H2,51,52,61,62,64) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-13 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50424988
(CHEMBL2311771)Show SMILES O=C(N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)c1ccc(cc1)C(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C50H46N8O10/c59-41(55-25-7-27-57(31-29-55)49(43(61)51-47(65)52-44(49)62)35-17-21-39(22-18-35)67-37-9-3-1-4-10-37)33-13-15-34(16-14-33)42(60)56-26-8-28-58(32-30-56)50(45(63)53-48(66)54-46(50)64)36-19-23-40(24-20-36)68-38-11-5-2-6-12-38/h1-6,9-24H,7-8,25-32H2,(H2,51,52,61,62,65)(H2,53,54,63,64,66) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-13 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50424982
(CHEMBL2311765)Show SMILES O=C(CCCCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C51H56N8O10/c60-42(56-28-12-30-58(34-32-56)50(44(62)52-48(66)53-45(50)63)36-20-24-40(25-21-36)68-38-14-6-4-7-15-38)18-10-2-1-3-11-19-43(61)57-29-13-31-59(35-33-57)51(46(64)54-49(67)55-47(51)65)37-22-26-41(27-23-37)69-39-16-8-5-9-17-39/h4-9,14-17,20-27H,1-3,10-13,18-19,28-35H2,(H2,52,53,62,63,66)(H2,54,55,64,65,67) | 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 | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-13 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50424987
(CHEMBL2311774)Show SMILES O=C(CCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C46H46N8O10/c55-37(51-23-7-25-53(29-27-51)45(39(57)47-43(61)48-40(45)58)31-13-17-35(18-14-31)63-33-9-3-1-4-10-33)21-22-38(56)52-24-8-26-54(30-28-52)46(41(59)49-44(62)50-42(46)60)32-15-19-36(20-16-32)64-34-11-5-2-6-12-34/h1-6,9-20H,7-8,21-30H2,(H2,47,48,57,58,61)(H2,49,50,59,60,62) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-8 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50424988
(CHEMBL2311771)Show SMILES O=C(N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)c1ccc(cc1)C(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C50H46N8O10/c59-41(55-25-7-27-57(31-29-55)49(43(61)51-47(65)52-44(49)62)35-17-21-39(22-18-35)67-37-9-3-1-4-10-37)33-13-15-34(16-14-33)42(60)56-26-8-28-58(32-30-56)50(45(63)53-48(66)54-46(50)64)36-19-23-40(24-20-36)68-38-11-5-2-6-12-38/h1-6,9-24H,7-8,25-32H2,(H2,51,52,61,62,65)(H2,53,54,63,64,66) | 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 | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-8 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50424988
(CHEMBL2311771)Show SMILES O=C(N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)c1ccc(cc1)C(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C50H46N8O10/c59-41(55-25-7-27-57(31-29-55)49(43(61)51-47(65)52-44(49)62)35-17-21-39(22-18-35)67-37-9-3-1-4-10-37)33-13-15-34(16-14-33)42(60)56-26-8-28-58(32-30-56)50(45(63)53-48(66)54-46(50)64)36-19-23-40(24-20-36)68-38-11-5-2-6-12-38/h1-6,9-24H,7-8,25-32H2,(H2,51,52,61,62,65)(H2,53,54,63,64,66) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-9 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50424990
(CHEMBL2311769)Show SMILES O=C(CCCCCCCCCCCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C58H70N8O10/c67-49(63-35-19-37-65(41-39-63)57(51(69)59-55(73)60-52(57)70)43-27-31-47(32-28-43)75-45-21-13-11-14-22-45)25-17-9-7-5-3-1-2-4-6-8-10-18-26-50(68)64-36-20-38-66(42-40-64)58(53(71)61-56(74)62-54(58)72)44-29-33-48(34-30-44)76-46-23-15-12-16-24-46/h11-16,21-24,27-34H,1-10,17-20,25-26,35-42H2,(H2,59,60,69,70,73)(H2,61,62,71,72,74) | 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 | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-2 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50424988
(CHEMBL2311771)Show SMILES O=C(N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)c1ccc(cc1)C(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C50H46N8O10/c59-41(55-25-7-27-57(31-29-55)49(43(61)51-47(65)52-44(49)62)35-17-21-39(22-18-35)67-37-9-3-1-4-10-37)33-13-15-34(16-14-33)42(60)56-26-8-28-58(32-30-56)50(45(63)53-48(66)54-46(50)64)36-19-23-40(24-20-36)68-38-11-5-2-6-12-38/h1-6,9-24H,7-8,25-32H2,(H2,51,52,61,62,65)(H2,53,54,63,64,66) | 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 | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-2 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50424986
(CHEMBL2311775)Show SMILES O=C(CCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C47H48N8O10/c56-38(52-24-8-26-54(30-28-52)46(40(58)48-44(62)49-41(46)59)32-16-20-36(21-17-32)64-34-10-3-1-4-11-34)14-7-15-39(57)53-25-9-27-55(31-29-53)47(42(60)50-45(63)51-43(47)61)33-18-22-37(23-19-33)65-35-12-5-2-6-13-35/h1-6,10-13,16-23H,7-9,14-15,24-31H2,(H2,48,49,58,59,62)(H2,50,51,60,61,63) | 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 | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-2 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50424982
(CHEMBL2311765)Show SMILES O=C(CCCCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C51H56N8O10/c60-42(56-28-12-30-58(34-32-56)50(44(62)52-48(66)53-45(50)63)36-20-24-40(25-21-36)68-38-14-6-4-7-15-38)18-10-2-1-3-11-19-43(61)57-29-13-31-59(35-33-57)51(46(64)54-49(67)55-47(51)65)37-22-26-41(27-23-37)69-39-16-8-5-9-17-39/h4-9,14-17,20-27H,1-3,10-13,18-19,28-35H2,(H2,52,53,62,63,66)(H2,54,55,64,65,67) | 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 | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-2 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50424987
(CHEMBL2311774)Show SMILES O=C(CCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C46H46N8O10/c55-37(51-23-7-25-53(29-27-51)45(39(57)47-43(61)48-40(45)58)31-13-17-35(18-14-31)63-33-9-3-1-4-10-33)21-22-38(56)52-24-8-26-54(30-28-52)46(41(59)49-44(62)50-42(46)60)32-15-19-36(20-16-32)64-34-11-5-2-6-12-34/h1-6,9-20H,7-8,21-30H2,(H2,47,48,57,58,61)(H2,49,50,59,60,62) | 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 | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-2 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50424985
(CHEMBL2311776)Show SMILES O=C(CCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C48H50N8O10/c57-39(53-25-9-27-55(31-29-53)47(41(59)49-45(63)50-42(47)60)33-17-21-37(22-18-33)65-35-11-3-1-4-12-35)15-7-8-16-40(58)54-26-10-28-56(32-30-54)48(43(61)51-46(64)52-44(48)62)34-19-23-38(24-20-34)66-36-13-5-2-6-14-36/h1-6,11-14,17-24H,7-10,15-16,25-32H2,(H2,49,50,59,60,63)(H2,51,52,61,62,64) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-8 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50424983
(CHEMBL2311778)Show SMILES O=C(CCCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C50H54N8O10/c59-41(55-27-11-29-57(33-31-55)49(43(61)51-47(65)52-44(49)62)35-19-23-39(24-20-35)67-37-13-5-3-6-14-37)17-9-1-2-10-18-42(60)56-28-12-30-58(34-32-56)50(45(63)53-48(66)54-46(50)64)36-21-25-40(26-22-36)68-38-15-7-4-8-16-38/h3-8,13-16,19-26H,1-2,9-12,17-18,27-34H2,(H2,51,52,61,62,65)(H2,53,54,63,64,66) | 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 | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-2 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50424993
(CHEMBL2311766)Show SMILES O=C(CCCCCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C52H58N8O10/c61-43(57-29-13-31-59(35-33-57)51(45(63)53-49(67)54-46(51)64)37-21-25-41(26-22-37)69-39-15-7-5-8-16-39)19-11-3-1-2-4-12-20-44(62)58-30-14-32-60(36-34-58)52(47(65)55-50(68)56-48(52)66)38-23-27-42(28-24-38)70-40-17-9-6-10-18-40/h5-10,15-18,21-28H,1-4,11-14,19-20,29-36H2,(H2,53,54,63,64,67)(H2,55,56,65,66,68) | 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 | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-2 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50424991
(CHEMBL2311768)Show SMILES O=C(CCCCCCCCCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C56H66N8O10/c65-47(61-33-17-35-63(39-37-61)55(49(67)57-53(71)58-50(55)68)41-25-29-45(30-26-41)73-43-19-11-9-12-20-43)23-15-7-5-3-1-2-4-6-8-16-24-48(66)62-34-18-36-64(40-38-62)56(51(69)59-54(72)60-52(56)70)42-27-31-46(32-28-42)74-44-21-13-10-14-22-44/h9-14,19-22,25-32H,1-8,15-18,23-24,33-40H2,(H2,57,58,67,68,71)(H2,59,60,69,70,72) | 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 | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-13 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50424982
(CHEMBL2311765)Show SMILES O=C(CCCCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C51H56N8O10/c60-42(56-28-12-30-58(34-32-56)50(44(62)52-48(66)53-45(50)63)36-20-24-40(25-21-36)68-38-14-6-4-7-15-38)18-10-2-1-3-11-19-43(61)57-29-13-31-59(35-33-57)51(46(64)54-49(67)55-47(51)65)37-22-26-41(27-23-37)69-39-16-8-5-9-17-39/h4-9,14-17,20-27H,1-3,10-13,18-19,28-35H2,(H2,52,53,62,63,66)(H2,54,55,64,65,67) | 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 | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-9 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50424989
(CHEMBL2311770)Show SMILES O=C(CCCCCCCCCCCCCCCCCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C64H82N8O10/c73-55(69-41-25-43-71(47-45-69)63(57(75)65-61(79)66-58(63)76)49-33-37-53(38-34-49)81-51-27-19-17-20-28-51)31-23-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-24-32-56(74)70-42-26-44-72(48-46-70)64(59(77)67-62(80)68-60(64)78)50-35-39-54(40-36-50)82-52-29-21-18-22-30-52/h17-22,27-30,33-40H,1-16,23-26,31-32,41-48H2,(H2,65,66,75,76,79)(H2,67,68,77,78,80) | 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 | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-2 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50424983
(CHEMBL2311778)Show SMILES O=C(CCCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C50H54N8O10/c59-41(55-27-11-29-57(33-31-55)49(43(61)51-47(65)52-44(49)62)35-19-23-39(24-20-35)67-37-13-5-3-6-14-37)17-9-1-2-10-18-42(60)56-28-12-30-58(34-32-56)50(45(63)53-48(66)54-46(50)64)36-21-25-40(26-22-36)68-38-15-7-4-8-16-38/h3-8,13-16,19-26H,1-2,9-12,17-18,27-34H2,(H2,51,52,61,62,65)(H2,53,54,63,64,66) | 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 | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-9 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50424991
(CHEMBL2311768)Show SMILES O=C(CCCCCCCCCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C56H66N8O10/c65-47(61-33-17-35-63(39-37-61)55(49(67)57-53(71)58-50(55)68)41-25-29-45(30-26-41)73-43-19-11-9-12-20-43)23-15-7-5-3-1-2-4-6-8-16-24-48(66)62-34-18-36-64(40-38-62)56(51(69)59-54(72)60-52(56)70)42-27-31-46(32-28-42)74-44-21-13-10-14-22-44/h9-14,19-22,25-32H,1-8,15-18,23-24,33-40H2,(H2,57,58,67,68,71)(H2,59,60,69,70,72) | 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 | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-9 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50424984
(CHEMBL2311777)Show SMILES O=C(CCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C49H52N8O10/c58-40(54-26-10-28-56(32-30-54)48(42(60)50-46(64)51-43(48)61)34-18-22-38(23-19-34)66-36-12-4-1-5-13-36)16-8-3-9-17-41(59)55-27-11-29-57(33-31-55)49(44(62)52-47(65)53-45(49)63)35-20-24-39(25-21-35)67-37-14-6-2-7-15-37/h1-2,4-7,12-15,18-25H,3,8-11,16-17,26-33H2,(H2,50,51,60,61,64)(H2,52,53,62,63,65) | 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 | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-2 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50424987
(CHEMBL2311774)Show SMILES O=C(CCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C46H46N8O10/c55-37(51-23-7-25-53(29-27-51)45(39(57)47-43(61)48-40(45)58)31-13-17-35(18-14-31)63-33-9-3-1-4-10-33)21-22-38(56)52-24-8-26-54(30-28-52)46(41(59)49-44(62)50-42(46)60)32-15-19-36(20-16-32)64-34-11-5-2-6-12-34/h1-6,9-20H,7-8,21-30H2,(H2,47,48,57,58,61)(H2,49,50,59,60,62) | 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 | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-9 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50424986
(CHEMBL2311775)Show SMILES O=C(CCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C47H48N8O10/c56-38(52-24-8-26-54(30-28-52)46(40(58)48-44(62)49-41(46)59)32-16-20-36(21-17-32)64-34-10-3-1-4-11-34)14-7-15-39(57)53-25-9-27-55(31-29-53)47(42(60)50-45(63)51-43(47)61)33-18-22-37(23-19-33)65-35-12-5-2-6-13-35/h1-6,10-13,16-23H,7-9,14-15,24-31H2,(H2,48,49,58,59,62)(H2,50,51,60,61,63) | 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 | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-8 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50424983
(CHEMBL2311778)Show SMILES O=C(CCCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C50H54N8O10/c59-41(55-27-11-29-57(33-31-55)49(43(61)51-47(65)52-44(49)62)35-19-23-39(24-20-35)67-37-13-5-3-6-14-37)17-9-1-2-10-18-42(60)56-28-12-30-58(34-32-56)50(45(63)53-48(66)54-46(50)64)36-21-25-40(26-22-36)68-38-15-7-4-8-16-38/h3-8,13-16,19-26H,1-2,9-12,17-18,27-34H2,(H2,51,52,61,62,65)(H2,53,54,63,64,66) | 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 | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-8 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50424993
(CHEMBL2311766)Show SMILES O=C(CCCCCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C52H58N8O10/c61-43(57-29-13-31-59(35-33-57)51(45(63)53-49(67)54-46(51)64)37-21-25-41(26-22-37)69-39-15-7-5-8-16-39)19-11-3-1-2-4-12-20-44(62)58-30-14-32-60(36-34-58)52(47(65)55-50(68)56-48(52)66)38-23-27-42(28-24-38)70-40-17-9-6-10-18-40/h5-10,15-18,21-28H,1-4,11-14,19-20,29-36H2,(H2,53,54,63,64,67)(H2,55,56,65,66,68) | 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 | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-8 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50424982
(CHEMBL2311765)Show SMILES O=C(CCCCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C51H56N8O10/c60-42(56-28-12-30-58(34-32-56)50(44(62)52-48(66)53-45(50)63)36-20-24-40(25-21-36)68-38-14-6-4-7-15-38)18-10-2-1-3-11-19-43(61)57-29-13-31-59(35-33-57)51(46(64)54-49(67)55-47(51)65)37-22-26-41(27-23-37)69-39-16-8-5-9-17-39/h4-9,14-17,20-27H,1-3,10-13,18-19,28-35H2,(H2,52,53,62,63,66)(H2,54,55,64,65,67) | 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 | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-8 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50424992
(CHEMBL2311767)Show SMILES O=C(CCCCCCCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C54H62N8O10/c63-45(59-31-15-33-61(37-35-59)53(47(65)55-51(69)56-48(53)66)39-23-27-43(28-24-39)71-41-17-9-7-10-18-41)21-13-5-3-1-2-4-6-14-22-46(64)60-32-16-34-62(38-36-60)54(49(67)57-52(70)58-50(54)68)40-25-29-44(30-26-40)72-42-19-11-8-12-20-42/h7-12,17-20,23-30H,1-6,13-16,21-22,31-38H2,(H2,55,56,65,66,69)(H2,57,58,67,68,70) | 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 | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-13 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50424993
(CHEMBL2311766)Show SMILES O=C(CCCCCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C52H58N8O10/c61-43(57-29-13-31-59(35-33-57)51(45(63)53-49(67)54-46(51)64)37-21-25-41(26-22-37)69-39-15-7-5-8-16-39)19-11-3-1-2-4-12-20-44(62)58-30-14-32-60(36-34-58)52(47(65)55-50(68)56-48(52)66)38-23-27-42(28-24-38)70-40-17-9-6-10-18-40/h5-10,15-18,21-28H,1-4,11-14,19-20,29-36H2,(H2,53,54,63,64,67)(H2,55,56,65,66,68) | 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 | 106 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-13 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50424985
(CHEMBL2311776)Show SMILES O=C(CCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C48H50N8O10/c57-39(53-25-9-27-55(31-29-53)47(41(59)49-45(63)50-42(47)60)33-17-21-37(22-18-33)65-35-11-3-1-4-12-35)15-7-8-16-40(58)54-26-10-28-56(32-30-54)48(43(61)51-46(64)52-44(48)62)34-19-23-38(24-20-34)66-36-13-5-2-6-14-36/h1-6,11-14,17-24H,7-10,15-16,25-32H2,(H2,49,50,59,60,63)(H2,51,52,61,62,64) | 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 | 115 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-9 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50424984
(CHEMBL2311777)Show SMILES O=C(CCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C49H52N8O10/c58-40(54-26-10-28-56(32-30-54)48(42(60)50-46(64)51-43(48)61)34-18-22-38(23-19-34)66-36-12-4-1-5-13-36)16-8-3-9-17-41(59)55-27-11-29-57(33-31-55)49(44(62)52-47(65)53-45(49)63)35-20-24-39(25-21-35)67-37-14-6-2-7-15-37/h1-2,4-7,12-15,18-25H,3,8-11,16-17,26-33H2,(H2,50,51,60,61,64)(H2,52,53,62,63,65) | 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 | 117 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-8 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50424992
(CHEMBL2311767)Show SMILES O=C(CCCCCCCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C54H62N8O10/c63-45(59-31-15-33-61(37-35-59)53(47(65)55-51(69)56-48(53)66)39-23-27-43(28-24-39)71-41-17-9-7-10-18-41)21-13-5-3-1-2-4-6-14-22-46(64)60-32-16-34-62(38-36-60)54(49(67)57-52(70)58-50(54)68)40-25-29-44(30-26-40)72-42-19-11-8-12-20-42/h7-12,17-20,23-30H,1-6,13-16,21-22,31-38H2,(H2,55,56,65,66,69)(H2,57,58,67,68,70) | 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 |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-9 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50424984
(CHEMBL2311777)Show SMILES O=C(CCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C49H52N8O10/c58-40(54-26-10-28-56(32-30-54)48(42(60)50-46(64)51-43(48)61)34-18-22-38(23-19-34)66-36-12-4-1-5-13-36)16-8-3-9-17-41(59)55-27-11-29-57(33-31-55)49(44(62)52-47(65)53-45(49)63)35-20-24-39(25-21-35)67-37-14-6-2-7-15-37/h1-2,4-7,12-15,18-25H,3,8-11,16-17,26-33H2,(H2,50,51,60,61,64)(H2,52,53,62,63,65) | 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 | 121 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-9 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50424992
(CHEMBL2311767)Show SMILES O=C(CCCCCCCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C54H62N8O10/c63-45(59-31-15-33-61(37-35-59)53(47(65)55-51(69)56-48(53)66)39-23-27-43(28-24-39)71-41-17-9-7-10-18-41)21-13-5-3-1-2-4-6-14-22-46(64)60-32-16-34-62(38-36-60)54(49(67)57-52(70)58-50(54)68)40-25-29-44(30-26-40)72-42-19-11-8-12-20-42/h7-12,17-20,23-30H,1-6,13-16,21-22,31-38H2,(H2,55,56,65,66,69)(H2,57,58,67,68,70) | 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 | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-8 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50424993
(CHEMBL2311766)Show SMILES O=C(CCCCCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C52H58N8O10/c61-43(57-29-13-31-59(35-33-57)51(45(63)53-49(67)54-46(51)64)37-21-25-41(26-22-37)69-39-15-7-5-8-16-39)19-11-3-1-2-4-12-20-44(62)58-30-14-32-60(36-34-58)52(47(65)55-50(68)56-48(52)66)38-23-27-42(28-24-38)70-40-17-9-6-10-18-40/h5-10,15-18,21-28H,1-4,11-14,19-20,29-36H2,(H2,53,54,63,64,67)(H2,55,56,65,66,68) | 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 | 131 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-9 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50424990
(CHEMBL2311769)Show SMILES O=C(CCCCCCCCCCCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C58H70N8O10/c67-49(63-35-19-37-65(41-39-63)57(51(69)59-55(73)60-52(57)70)43-27-31-47(32-28-43)75-45-21-13-11-14-22-45)25-17-9-7-5-3-1-2-4-6-8-10-18-26-50(68)64-36-20-38-66(42-40-64)58(53(71)61-56(74)62-54(58)72)44-29-33-48(34-30-44)76-46-23-15-12-16-24-46/h11-16,21-24,27-34H,1-10,17-20,25-26,35-42H2,(H2,59,60,69,70,73)(H2,61,62,71,72,74) | 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 | 134 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-13 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50424989
(CHEMBL2311770)Show SMILES O=C(CCCCCCCCCCCCCCCCCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C64H82N8O10/c73-55(69-41-25-43-71(47-45-69)63(57(75)65-61(79)66-58(63)76)49-33-37-53(38-34-49)81-51-27-19-17-20-28-51)31-23-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-24-32-56(74)70-42-26-44-72(48-46-70)64(59(77)67-62(80)68-60(64)78)50-35-39-54(40-36-50)82-52-29-21-18-22-30-52/h17-22,27-30,33-40H,1-16,23-26,31-32,41-48H2,(H2,65,66,75,76,79)(H2,67,68,77,78,80) | 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 | 144 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-9 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50424992
(CHEMBL2311767)Show SMILES O=C(CCCCCCCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C54H62N8O10/c63-45(59-31-15-33-61(37-35-59)53(47(65)55-51(69)56-48(53)66)39-23-27-43(28-24-39)71-41-17-9-7-10-18-41)21-13-5-3-1-2-4-6-14-22-46(64)60-32-16-34-62(38-36-60)54(49(67)57-52(70)58-50(54)68)40-25-29-44(30-26-40)72-42-19-11-8-12-20-42/h7-12,17-20,23-30H,1-6,13-16,21-22,31-38H2,(H2,55,56,65,66,69)(H2,57,58,67,68,70) | 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 | 145 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-2 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50424985
(CHEMBL2311776)Show SMILES O=C(CCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C48H50N8O10/c57-39(53-25-9-27-55(31-29-53)47(41(59)49-45(63)50-42(47)60)33-17-21-37(22-18-33)65-35-11-3-1-4-12-35)15-7-8-16-40(58)54-26-10-28-56(32-30-54)48(43(61)51-46(64)52-44(48)62)34-19-23-38(24-20-34)66-36-13-5-2-6-14-36/h1-6,11-14,17-24H,7-10,15-16,25-32H2,(H2,49,50,59,60,63)(H2,51,52,61,62,64) | 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 | 149 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-2 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50424983
(CHEMBL2311778)Show SMILES O=C(CCCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C50H54N8O10/c59-41(55-27-11-29-57(33-31-55)49(43(61)51-47(65)52-44(49)62)35-19-23-39(24-20-35)67-37-13-5-3-6-14-37)17-9-1-2-10-18-42(60)56-28-12-30-58(34-32-56)50(45(63)53-48(66)54-46(50)64)36-21-25-40(26-22-36)68-38-15-7-4-8-16-38/h3-8,13-16,19-26H,1-2,9-12,17-18,27-34H2,(H2,51,52,61,62,65)(H2,53,54,63,64,66) | 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 | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-13 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50424989
(CHEMBL2311770)Show SMILES O=C(CCCCCCCCCCCCCCCCCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C64H82N8O10/c73-55(69-41-25-43-71(47-45-69)63(57(75)65-61(79)66-58(63)76)49-33-37-53(38-34-49)81-51-27-19-17-20-28-51)31-23-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-24-32-56(74)70-42-26-44-72(48-46-70)64(59(77)67-62(80)68-60(64)78)50-35-39-54(40-36-50)82-52-29-21-18-22-30-52/h17-22,27-30,33-40H,1-16,23-26,31-32,41-48H2,(H2,65,66,75,76,79)(H2,67,68,77,78,80) | 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 | 162 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-8 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50424986
(CHEMBL2311775)Show SMILES O=C(CCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C47H48N8O10/c56-38(52-24-8-26-54(30-28-52)46(40(58)48-44(62)49-41(46)59)32-16-20-36(21-17-32)64-34-10-3-1-4-11-34)14-7-15-39(57)53-25-9-27-55(31-29-53)47(42(60)50-45(63)51-43(47)61)33-18-22-37(23-19-33)65-35-12-5-2-6-13-35/h1-6,10-13,16-23H,7-9,14-15,24-31H2,(H2,48,49,58,59,62)(H2,50,51,60,61,63) | 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 | 164 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-13 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50424986
(CHEMBL2311775)Show SMILES O=C(CCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C47H48N8O10/c56-38(52-24-8-26-54(30-28-52)46(40(58)48-44(62)49-41(46)59)32-16-20-36(21-17-32)64-34-10-3-1-4-11-34)14-7-15-39(57)53-25-9-27-55(31-29-53)47(42(60)50-45(63)51-43(47)61)33-18-22-37(23-19-33)65-35-12-5-2-6-13-35/h1-6,10-13,16-23H,7-9,14-15,24-31H2,(H2,48,49,58,59,62)(H2,50,51,60,61,63) | 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 | 188 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-9 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50424991
(CHEMBL2311768)Show SMILES O=C(CCCCCCCCCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C56H66N8O10/c65-47(61-33-17-35-63(39-37-61)55(49(67)57-53(71)58-50(55)68)41-25-29-45(30-26-41)73-43-19-11-9-12-20-43)23-15-7-5-3-1-2-4-6-8-16-24-48(66)62-34-18-36-64(40-38-62)56(51(69)59-54(72)60-52(56)70)42-27-31-46(32-28-42)74-44-21-13-10-14-22-44/h9-14,19-22,25-32H,1-8,15-18,23-24,33-40H2,(H2,57,58,67,68,71)(H2,59,60,69,70,72) | 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 | 217 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-8 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50424990
(CHEMBL2311769)Show SMILES O=C(CCCCCCCCCCCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C58H70N8O10/c67-49(63-35-19-37-65(41-39-63)57(51(69)59-55(73)60-52(57)70)43-27-31-47(32-28-43)75-45-21-13-11-14-22-45)25-17-9-7-5-3-1-2-4-6-8-10-18-26-50(68)64-36-20-38-66(42-40-64)58(53(71)61-56(74)62-54(58)72)44-29-33-48(34-30-44)76-46-23-15-12-16-24-46/h11-16,21-24,27-34H,1-10,17-20,25-26,35-42H2,(H2,59,60,69,70,73)(H2,61,62,71,72,74) | 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 | 222 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-9 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50424989
(CHEMBL2311770)Show SMILES O=C(CCCCCCCCCCCCCCCCCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C64H82N8O10/c73-55(69-41-25-43-71(47-45-69)63(57(75)65-61(79)66-58(63)76)49-33-37-53(38-34-49)81-51-27-19-17-20-28-51)31-23-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-24-32-56(74)70-42-26-44-72(48-46-70)64(59(77)67-62(80)68-60(64)78)50-35-39-54(40-36-50)82-52-29-21-18-22-30-52/h17-22,27-30,33-40H,1-16,23-26,31-32,41-48H2,(H2,65,66,75,76,79)(H2,67,68,77,78,80) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 225 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-13 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50424991
(CHEMBL2311768)Show SMILES O=C(CCCCCCCCCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C56H66N8O10/c65-47(61-33-17-35-63(39-37-61)55(49(67)57-53(71)58-50(55)68)41-25-29-45(30-26-41)73-43-19-11-9-12-20-43)23-15-7-5-3-1-2-4-6-8-16-24-48(66)62-34-18-36-64(40-38-62)56(51(69)59-54(72)60-52(56)70)42-27-31-46(32-28-42)74-44-21-13-10-14-22-44/h9-14,19-22,25-32H,1-8,15-18,23-24,33-40H2,(H2,57,58,67,68,71)(H2,59,60,69,70,72) | 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 | 227 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-2 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50424990
(CHEMBL2311769)Show SMILES O=C(CCCCCCCCCCCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C58H70N8O10/c67-49(63-35-19-37-65(41-39-63)57(51(69)59-55(73)60-52(57)70)43-27-31-47(32-28-43)75-45-21-13-11-14-22-45)25-17-9-7-5-3-1-2-4-6-8-10-18-26-50(68)64-36-20-38-66(42-40-64)58(53(71)61-56(74)62-54(58)72)44-29-33-48(34-30-44)76-46-23-15-12-16-24-46/h11-16,21-24,27-34H,1-10,17-20,25-26,35-42H2,(H2,59,60,69,70,73)(H2,61,62,71,72,74) | 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 | 282 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-8 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50424994
(CHEMBL2311773)Show SMILES CCCCCCCCCCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C35H48N4O5/c1-2-3-4-5-6-7-8-9-10-11-15-19-31(40)38-24-16-25-39(27-26-38)35(32(41)36-34(43)37-33(35)42)28-20-22-30(23-21-28)44-29-17-13-12-14-18-29/h12-14,17-18,20-23H,2-11,15-16,19,24-27H2,1H3,(H2,36,37,41,42,43) | 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 | 598 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-2 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50424994
(CHEMBL2311773)Show SMILES CCCCCCCCCCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C35H48N4O5/c1-2-3-4-5-6-7-8-9-10-11-15-19-31(40)38-24-16-25-39(27-26-38)35(32(41)36-34(43)37-33(35)42)28-20-22-30(23-21-28)44-29-17-13-12-14-18-29/h12-14,17-18,20-23H,2-11,15-16,19,24-27H2,1H3,(H2,36,37,41,42,43) | 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 | 608 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-9 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50424984
(CHEMBL2311777)Show SMILES O=C(CCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C49H52N8O10/c58-40(54-26-10-28-56(32-30-54)48(42(60)50-46(64)51-43(48)61)34-18-22-38(23-19-34)66-36-12-4-1-5-13-36)16-8-3-9-17-41(59)55-27-11-29-57(33-31-55)49(44(62)52-47(65)53-45(49)63)35-20-24-39(25-21-35)67-37-14-6-2-7-15-37/h1-2,4-7,12-15,18-25H,3,8-11,16-17,26-33H2,(H2,50,51,60,61,64)(H2,52,53,62,63,65) | 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 | 648 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-13 after 45 mins by fluorogenic assay |
Bioorg Med Chem Lett 23: 444-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.063
BindingDB Entry DOI: 10.7270/Q2J104H9 |
More data for this
Ligand-Target Pair | |
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