Found 183 hits with Last Name = 'baxter' and Initial = 'ad' 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 |
|---|
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50226008
((R)-3-(4-propylmorpholin-2-yl)phenol | CHEMBL25040...)Show InChI InChI=1S/C13H19NO2/c1-2-6-14-7-8-16-13(10-14)11-4-3-5-12(15)9-11/h3-5,9,13,15H,2,6-8,10H2,1H3/t13-/m0/s1 | PDB
Reactome pathway
KEGG
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GoogleScholar
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CHEMBL
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PC sid
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| Article
PubMed
| 970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Binding affinity to rat 5HT2A receptor |
Bioorg Med Chem Lett 17: 6691-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.10.059
BindingDB Entry DOI: 10.7270/Q23J3CQ5 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50226008
((R)-3-(4-propylmorpholin-2-yl)phenol | CHEMBL25040...)Show InChI InChI=1S/C13H19NO2/c1-2-6-14-7-8-16-13(10-14)11-4-3-5-12(15)9-11/h3-5,9,13,15H,2,6-8,10H2,1H3/t13-/m0/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Binding affinity to human muscarinic M1 receptor |
Bioorg Med Chem Lett 17: 6691-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.10.059
BindingDB Entry DOI: 10.7270/Q23J3CQ5 |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50226008
((R)-3-(4-propylmorpholin-2-yl)phenol | CHEMBL25040...)Show InChI InChI=1S/C13H19NO2/c1-2-6-14-7-8-16-13(10-14)11-4-3-5-12(15)9-11/h3-5,9,13,15H,2,6-8,10H2,1H3/t13-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Binding affinity to human alpha2A adrenergic receptor |
Bioorg Med Chem Lett 17: 6691-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.10.059
BindingDB Entry DOI: 10.7270/Q23J3CQ5 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50226008
((R)-3-(4-propylmorpholin-2-yl)phenol | CHEMBL25040...)Show InChI InChI=1S/C13H19NO2/c1-2-6-14-7-8-16-13(10-14)11-4-3-5-12(15)9-11/h3-5,9,13,15H,2,6-8,10H2,1H3/t13-/m0/s1 | PDB
KEGG
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CHEMBL
PC cid
PC sid
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| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Binding affinity to rat alpha1A adrenergic receptor |
Bioorg Med Chem Lett 17: 6691-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.10.059
BindingDB Entry DOI: 10.7270/Q23J3CQ5 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50226008
((R)-3-(4-propylmorpholin-2-yl)phenol | CHEMBL25040...)Show InChI InChI=1S/C13H19NO2/c1-2-6-14-7-8-16-13(10-14)11-4-3-5-12(15)9-11/h3-5,9,13,15H,2,6-8,10H2,1H3/t13-/m0/s1 | PDB
Reactome pathway
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| Article
PubMed
| >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H1 receptor |
Bioorg Med Chem Lett 17: 6691-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.10.059
BindingDB Entry DOI: 10.7270/Q23J3CQ5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50226008
((R)-3-(4-propylmorpholin-2-yl)phenol | CHEMBL25040...)Show InChI InChI=1S/C13H19NO2/c1-2-6-14-7-8-16-13(10-14)11-4-3-5-12(15)9-11/h3-5,9,13,15H,2,6-8,10H2,1H3/t13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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UniProtKB/TrEMBL
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DrugBank
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| Purchase
CHEMBL
PC cid
PC sid
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| Article
PubMed
| >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Displacement of dofetilide from hERG |
Bioorg Med Chem Lett 17: 6691-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.10.059
BindingDB Entry DOI: 10.7270/Q23J3CQ5 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50290670
(5-Mercapto-5-[(S)-3-methyl-1-((S)-1-methylcarbamoy...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCC(=O)OC Show InChI InChI=1S/C23H35N3O5S/c1-15(2)13-17(26-23(30)19(32)11-8-12-20(27)31-4)22(29)25-18(21(28)24-3)14-16-9-6-5-7-10-16/h5-7,9-10,15,17-19,32H,8,11-14H2,1-4H3,(H,24,28)(H,25,29)(H,26,30)/t17-,18-,19?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-9, MMP-9 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50100087
(5-Phenyl-2-[4-(pyridine-4-carbonyl)-benzenesulfony...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccncc1 Show InChI InChI=1S/C24H24N2O5S/c27-23(20-13-15-25-16-14-20)19-9-11-22(12-10-19)32(30,31)17-21(24(28)26-29)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-16,21,29H,4,7-8,17H2,(H,26,28) | PDB
MMDB
Reactome pathway
KEGG
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DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-8 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50290675
(5-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-mercapto...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C29H36N4O5S/c1-18(2)16-22(26(35)31-23(25(34)30-3)17-19-10-5-4-6-11-19)32-27(36)24(39)14-9-15-33-28(37)20-12-7-8-13-21(20)29(33)38/h4-8,10-13,18,22-24,39H,9,14-17H2,1-3H3,(H,30,34)(H,31,35)(H,32,36)/t22-,23-,24?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-9, MMP-9 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50100087
(5-Phenyl-2-[4-(pyridine-4-carbonyl)-benzenesulfony...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccncc1 Show InChI InChI=1S/C24H24N2O5S/c27-23(20-13-15-25-16-14-20)19-9-11-22(12-10-19)32(30,31)17-21(24(28)26-29)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-16,21,29H,4,7-8,17H2,(H,26,28) | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-2 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50290671
((S)-4-(2,5-Dioxo-pyrrolidin-1-yl)-2-mercapto-N-[(R...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)[C@@H](S)CCN1C(=O)CCC1=O Show InChI InChI=1S/C22H30N4O5S2/c1-23-20(29)15(12-14-6-4-3-5-7-14)24-21(30)16(13-33-2)25-22(31)17(32)10-11-26-18(27)8-9-19(26)28/h3-7,15-17,32H,8-13H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)/t15-,16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-8, MMP-8 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50100089
(2-(4-Benzoyl-benzenesulfonylmethyl)-5-phenyl-penta...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H25NO5S/c27-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)32(30,31)18-22(25(28)26-29)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22,29H,7,10,13,18H2,(H,26,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-2 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50100089
(2-(4-Benzoyl-benzenesulfonylmethyl)-5-phenyl-penta...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H25NO5S/c27-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)32(30,31)18-22(25(28)26-29)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22,29H,7,10,13,18H2,(H,26,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-9 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50290671
((S)-4-(2,5-Dioxo-pyrrolidin-1-yl)-2-mercapto-N-[(R...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)[C@@H](S)CCN1C(=O)CCC1=O Show InChI InChI=1S/C22H30N4O5S2/c1-23-20(29)15(12-14-6-4-3-5-7-14)24-21(30)16(13-33-2)25-22(31)17(32)10-11-26-18(27)8-9-19(26)28/h3-7,15-17,32H,8-13H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)/t15-,16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-9, MMP-9 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Rattus norvegicus) | BDBM50291446
((R)-2-(2-Mercapto-acetylamino)-N-((S)-1-methylcarb...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)CS Show InChI InChI=1S/C16H23N3O3S2/c1-17-15(21)12(8-11-6-4-3-5-7-11)19-16(22)13(10-24-2)18-14(20)9-23/h3-7,12-13,23H,8-10H2,1-2H3,(H,17,21)(H,18,20)(H,19,22)/t12-,13-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against Matrix metalloproteinase-8 (MMP-8) in adjuvant arthritic rat model of rheumatoid arthritis |
Bioorg Med Chem Lett 7: 897-902 (1997)
Article DOI: 10.1016/S0960-894X(97)00125-X
BindingDB Entry DOI: 10.7270/Q2PC32CH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50290668
(2-Mercapto-5-methanesulfonylamino-pentanoic acid [...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCNS(C)(=O)=O Show InChI InChI=1S/C22H36N4O5S2/c1-15(2)13-17(26-22(29)19(32)11-8-12-24-33(4,30)31)21(28)25-18(20(27)23-3)14-16-9-6-5-7-10-16/h5-7,9-10,15,17-19,24,32H,8,11-14H2,1-4H3,(H,23,27)(H,25,28)(H,26,29)/t17-,18-,19?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-9, MMP-9 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Rattus norvegicus (Rat)) | BDBM50291447
((S)-2-(2-Mercapto-acetylamino)-4-methyl-pentanoic ...)Show SMILES CNC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](CC(C)C)NC(=O)CS Show InChI InChI=1S/C15H24N4O3S2/c1-9(2)4-11(18-13(20)6-23)15(22)19-12(14(21)16-3)5-10-7-24-8-17-10/h7-9,11-12,23H,4-6H2,1-3H3,(H,16,21)(H,18,20)(H,19,22)/t11-,12-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against Matrix metalloproteinase-9(MMP-9) in adjuvant arthritic rat model of rheumatoid arthritis |
Bioorg Med Chem Lett 7: 897-902 (1997)
Article DOI: 10.1016/S0960-894X(97)00125-X
BindingDB Entry DOI: 10.7270/Q2PC32CH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50290671
((S)-4-(2,5-Dioxo-pyrrolidin-1-yl)-2-mercapto-N-[(R...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)[C@@H](S)CCN1C(=O)CCC1=O Show InChI InChI=1S/C22H30N4O5S2/c1-23-20(29)15(12-14-6-4-3-5-7-14)24-21(30)16(13-33-2)25-22(31)17(32)10-11-26-18(27)8-9-19(26)28/h3-7,15-17,32H,8-13H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)/t15-,16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-9, MMP-9 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50290671
((S)-4-(2,5-Dioxo-pyrrolidin-1-yl)-2-mercapto-N-[(R...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)[C@@H](S)CCN1C(=O)CCC1=O Show InChI InChI=1S/C22H30N4O5S2/c1-23-20(29)15(12-14-6-4-3-5-7-14)24-21(30)16(13-33-2)25-22(31)17(32)10-11-26-18(27)8-9-19(26)28/h3-7,15-17,32H,8-13H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)/t15-,16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-8, MMP-8 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Rattus norvegicus) | BDBM50291447
((S)-2-(2-Mercapto-acetylamino)-4-methyl-pentanoic ...)Show SMILES CNC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](CC(C)C)NC(=O)CS Show InChI InChI=1S/C15H24N4O3S2/c1-9(2)4-11(18-13(20)6-23)15(22)19-12(14(21)16-3)5-10-7-24-8-17-10/h7-9,11-12,23H,4-6H2,1-3H3,(H,16,21)(H,18,20)(H,19,22)/t11-,12-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against Matrix metalloproteinase-8(MMP-8) in adjuvant arthritic rat model of rheumatoid arthritis |
Bioorg Med Chem Lett 7: 897-902 (1997)
Article DOI: 10.1016/S0960-894X(97)00125-X
BindingDB Entry DOI: 10.7270/Q2PC32CH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Rattus norvegicus (Rat)) | BDBM50291446
((R)-2-(2-Mercapto-acetylamino)-N-((S)-1-methylcarb...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)CS Show InChI InChI=1S/C16H23N3O3S2/c1-17-15(21)12(8-11-6-4-3-5-7-11)19-16(22)13(10-24-2)18-14(20)9-23/h3-7,12-13,23H,8-10H2,1-2H3,(H,17,21)(H,18,20)(H,19,22)/t12-,13-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against Matrix Matrix metalloproteinase-9 in adjuvant arthritic rat model of rheumatoid arthritis |
Bioorg Med Chem Lett 7: 897-902 (1997)
Article DOI: 10.1016/S0960-894X(97)00125-X
BindingDB Entry DOI: 10.7270/Q2PC32CH |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50290670
(5-Mercapto-5-[(S)-3-methyl-1-((S)-1-methylcarbamoy...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCC(=O)OC Show InChI InChI=1S/C23H35N3O5S/c1-15(2)13-17(26-23(30)19(32)11-8-12-20(27)31-4)22(29)25-18(21(28)24-3)14-16-9-6-5-7-10-16/h5-7,9-10,15,17-19,32H,8,11-14H2,1-4H3,(H,24,28)(H,25,29)(H,26,30)/t17-,18-,19?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-8, MMP-8 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50290667
(5-Mercapto-5-[(S)-3-methyl-1-((S)-1-methylcarbamoy...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCC(O)=O Show InChI InChI=1S/C22H33N3O5S/c1-14(2)12-16(25-22(30)18(31)10-7-11-19(26)27)21(29)24-17(20(28)23-3)13-15-8-5-4-6-9-15/h4-6,8-9,14,16-18,31H,7,10-13H2,1-3H3,(H,23,28)(H,24,29)(H,25,30)(H,26,27)/t16-,17-,18?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-8, MMP-8 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50290669
((S)-2-[4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-m...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C28H34N4O5S/c1-17(2)15-21(25(34)30-22(24(33)29-3)16-18-9-5-4-6-10-18)31-26(35)23(38)13-14-32-27(36)19-11-7-8-12-20(19)28(32)37/h4-12,17,21-23,38H,13-16H2,1-3H3,(H,29,33)(H,30,34)(H,31,35)/t21-,22-,23?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-8, MMP-8 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50100089
(2-(4-Benzoyl-benzenesulfonylmethyl)-5-phenyl-penta...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H25NO5S/c27-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)32(30,31)18-22(25(28)26-29)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22,29H,7,10,13,18H2,(H,26,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-8 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50100087
(5-Phenyl-2-[4-(pyridine-4-carbonyl)-benzenesulfony...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccncc1 Show InChI InChI=1S/C24H24N2O5S/c27-23(20-13-15-25-16-14-20)19-9-11-22(12-10-19)32(30,31)17-21(24(28)26-29)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-16,21,29H,4,7-8,17H2,(H,26,28) | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-9 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50290668
(2-Mercapto-5-methanesulfonylamino-pentanoic acid [...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCNS(C)(=O)=O Show InChI InChI=1S/C22H36N4O5S2/c1-15(2)13-17(26-22(29)19(32)11-8-12-24-33(4,30)31)21(28)25-18(20(27)23-3)14-16-9-6-5-7-10-16/h5-7,9-10,15,17-19,24,32H,8,11-14H2,1-4H3,(H,23,27)(H,25,28)(H,26,29)/t17-,18-,19?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-8, MMP-8 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50290678
((S)-2-(2-Mercapto-3-phenyl-propionylamino)-4-methy...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)Cc1ccccc1 Show InChI InChI=1S/C25H33N3O3S/c1-17(2)14-20(28-25(31)22(32)16-19-12-8-5-9-13-19)24(30)27-21(23(29)26-3)15-18-10-6-4-7-11-18/h4-13,17,20-22,32H,14-16H2,1-3H3,(H,26,29)(H,27,30)(H,28,31)/t20-,21-,22?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-8, MMP-8 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Rattus norvegicus) | BDBM50291444
((R)-N-[(S)-2-(1H-Indol-3-yl)-1-methylcarbamoyl-eth...)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSC)NC(=O)CS Show InChI InChI=1S/C18H24N4O3S2/c1-19-17(24)14(7-11-8-20-13-6-4-3-5-12(11)13)22-18(25)15(10-27-2)21-16(23)9-26/h3-6,8,14-15,20,26H,7,9-10H2,1-2H3,(H,19,24)(H,21,23)(H,22,25)/t14-,15-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against Matrix metalloproteinase-8(MMP-8) in adjuvant arthritic rat model of rheumatoid arthritis |
Bioorg Med Chem Lett 7: 897-902 (1997)
Article DOI: 10.1016/S0960-894X(97)00125-X
BindingDB Entry DOI: 10.7270/Q2PC32CH |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50290675
(5-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-mercapto...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C29H36N4O5S/c1-18(2)16-22(26(35)31-23(25(34)30-3)17-19-10-5-4-6-11-19)32-27(36)24(39)14-9-15-33-28(37)20-12-7-8-13-21(20)29(33)38/h4-8,10-13,18,22-24,39H,9,14-17H2,1-3H3,(H,30,34)(H,31,35)(H,32,36)/t22-,23-,24?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-8, MMP-8 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50290674
((R)-4-(2,5-Dioxo-pyrrolidin-1-yl)-2-mercapto-N-[(R...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)[C@H](S)CCN1C(=O)CCC1=O Show InChI InChI=1S/C22H30N4O5S2/c1-23-20(29)15(12-14-6-4-3-5-7-14)24-21(30)16(13-33-2)25-22(31)17(32)10-11-26-18(27)8-9-19(26)28/h3-7,15-17,32H,8-13H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)/t15-,16-,17+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-9, MMP-9 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Rattus norvegicus (Rat)) | BDBM50291445
((S)-2-(2-Mercapto-acetylamino)-4-methyl-pentanoic ...)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)CS Show InChI InChI=1S/C20H28N4O3S/c1-12(2)8-16(23-18(25)11-28)20(27)24-17(19(26)21-3)9-13-10-22-15-7-5-4-6-14(13)15/h4-7,10,12,16-17,22,28H,8-9,11H2,1-3H3,(H,21,26)(H,23,25)(H,24,27)/t16-,17-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against Matrix metalloproteinase-9(MMP-9) in adjuvant arthritic rat model of rheumatoid arthritis |
Bioorg Med Chem Lett 7: 897-902 (1997)
Article DOI: 10.1016/S0960-894X(97)00125-X
BindingDB Entry DOI: 10.7270/Q2PC32CH |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50290674
((R)-4-(2,5-Dioxo-pyrrolidin-1-yl)-2-mercapto-N-[(R...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)[C@H](S)CCN1C(=O)CCC1=O Show InChI InChI=1S/C22H30N4O5S2/c1-23-20(29)15(12-14-6-4-3-5-7-14)24-21(30)16(13-33-2)25-22(31)17(32)10-11-26-18(27)8-9-19(26)28/h3-7,15-17,32H,8-13H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)/t15-,16-,17+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-8, MMP-8 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50290673
(6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-mercapto...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C30H38N4O5S/c1-19(2)17-23(27(36)32-24(26(35)31-3)18-20-11-5-4-6-12-20)33-28(37)25(40)15-9-10-16-34-29(38)21-13-7-8-14-22(21)30(34)39/h4-8,11-14,19,23-25,40H,9-10,15-18H2,1-3H3,(H,31,35)(H,32,36)(H,33,37)/t23-,24-,25?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-9, MMP-9 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50290677
((S)-2-(2-Mercapto-3-methyl-butyrylamino)-4-methyl-...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)C(C)C Show InChI InChI=1S/C21H33N3O3S/c1-13(2)11-16(24-21(27)18(28)14(3)4)20(26)23-17(19(25)22-5)12-15-9-7-6-8-10-15/h6-10,13-14,16-18,28H,11-12H2,1-5H3,(H,22,25)(H,23,26)(H,24,27)/t16-,17-,18?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-9, MMP-9 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50290669
((S)-2-[4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-m...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C28H34N4O5S/c1-17(2)15-21(25(34)30-22(24(33)29-3)16-18-9-5-4-6-10-18)31-26(35)23(38)13-14-32-27(36)19-11-7-8-12-20(19)28(32)37/h4-12,17,21-23,38H,13-16H2,1-3H3,(H,29,33)(H,30,34)(H,31,35)/t21-,22-,23?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-9, MMP-9 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50290667
(5-Mercapto-5-[(S)-3-methyl-1-((S)-1-methylcarbamoy...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCC(O)=O Show InChI InChI=1S/C22H33N3O5S/c1-14(2)12-16(25-22(30)18(31)10-7-11-19(26)27)21(29)24-17(20(28)23-3)13-15-8-5-4-6-9-15/h4-6,8-9,14,16-18,31H,7,10-13H2,1-3H3,(H,23,28)(H,24,29)(H,25,30)(H,26,27)/t16-,17-,18?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-9, MMP-9 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50290678
((S)-2-(2-Mercapto-3-phenyl-propionylamino)-4-methy...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)Cc1ccccc1 Show InChI InChI=1S/C25H33N3O3S/c1-17(2)14-20(28-25(31)22(32)16-19-12-8-5-9-13-19)24(30)27-21(23(29)26-3)15-18-10-6-4-7-11-18/h4-13,17,20-22,32H,14-16H2,1-3H3,(H,26,29)(H,27,30)(H,28,31)/t20-,21-,22?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-9, MMP-9 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50290671
((S)-4-(2,5-Dioxo-pyrrolidin-1-yl)-2-mercapto-N-[(R...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)[C@@H](S)CCN1C(=O)CCC1=O Show InChI InChI=1S/C22H30N4O5S2/c1-23-20(29)15(12-14-6-4-3-5-7-14)24-21(30)16(13-33-2)25-22(31)17(32)10-11-26-18(27)8-9-19(26)28/h3-7,15-17,32H,8-13H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)/t15-,16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-3, MMP-3 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Rattus norvegicus) | BDBM50290672
((S)-2-(2-Mercapto-acetylamino)-4-methyl-pentanoic ...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CS Show InChI InChI=1S/C18H27N3O3S/c1-12(2)9-14(20-16(22)11-25)18(24)21-15(17(23)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,23)(H,20,22)(H,21,24)/t14-,15-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against Matrix metalloproteinase-8 (MMP-8) in adjuvant arthritic rat model of rheumatoid arthritis |
Bioorg Med Chem Lett 7: 897-902 (1997)
Article DOI: 10.1016/S0960-894X(97)00125-X
BindingDB Entry DOI: 10.7270/Q2PC32CH |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50290672
((S)-2-(2-Mercapto-acetylamino)-4-methyl-pentanoic ...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CS Show InChI InChI=1S/C18H27N3O3S/c1-12(2)9-14(20-16(22)11-25)18(24)21-15(17(23)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,23)(H,20,22)(H,21,24)/t14-,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-8, MMP-8 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50100090
(2-[4-(1-Oxy-pyridine-4-carbonyl)-benzenesulfonylme...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1cc[n+]([O-])cc1 Show InChI InChI=1S/C24H24N2O6S/c27-23(20-13-15-26(30)16-14-20)19-9-11-22(12-10-19)33(31,32)17-21(24(28)25-29)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-16,21,29H,4,7-8,17H2,(H,25,28) | 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 | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-2 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50290676
((S)-2-(2-Mercapto-4-phenyl-butyrylamino)-4-methyl-...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCc1ccccc1 Show InChI InChI=1S/C26H35N3O3S/c1-18(2)16-21(29-26(32)23(33)15-14-19-10-6-4-7-11-19)25(31)28-22(24(30)27-3)17-20-12-8-5-9-13-20/h4-13,18,21-23,33H,14-17H2,1-3H3,(H,27,30)(H,28,31)(H,29,32)/t21-,22-,23?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-9, MMP-9 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50290677
((S)-2-(2-Mercapto-3-methyl-butyrylamino)-4-methyl-...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)C(C)C Show InChI InChI=1S/C21H33N3O3S/c1-13(2)11-16(24-21(27)18(28)14(3)4)20(26)23-17(19(25)22-5)12-15-9-7-6-8-10-15/h6-10,13-14,16-18,28H,11-12H2,1-5H3,(H,22,25)(H,23,26)(H,24,27)/t16-,17-,18?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-8, MMP-8 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Rattus norvegicus) | BDBM50291445
((S)-2-(2-Mercapto-acetylamino)-4-methyl-pentanoic ...)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)CS Show InChI InChI=1S/C20H28N4O3S/c1-12(2)8-16(23-18(25)11-28)20(27)24-17(19(26)21-3)9-13-10-22-15-7-5-4-6-14(13)15/h4-7,10,12,16-17,22,28H,8-9,11H2,1-3H3,(H,21,26)(H,23,25)(H,24,27)/t16-,17-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against Matrix metalloproteinase-8(MMP-8) in adjuvant arthritic rat model of rheumatoid arthritis |
Bioorg Med Chem Lett 7: 897-902 (1997)
Article DOI: 10.1016/S0960-894X(97)00125-X
BindingDB Entry DOI: 10.7270/Q2PC32CH |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50290676
((S)-2-(2-Mercapto-4-phenyl-butyrylamino)-4-methyl-...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCc1ccccc1 Show InChI InChI=1S/C26H35N3O3S/c1-18(2)16-21(29-26(32)23(33)15-14-19-10-6-4-7-11-19)25(31)28-22(24(30)27-3)17-20-12-8-5-9-13-20/h4-13,18,21-23,33H,14-17H2,1-3H3,(H,27,30)(H,28,31)(H,29,32)/t21-,22-,23?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-8, MMP-8 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50100090
(2-[4-(1-Oxy-pyridine-4-carbonyl)-benzenesulfonylme...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1cc[n+]([O-])cc1 Show InChI InChI=1S/C24H24N2O6S/c27-23(20-13-15-26(30)16-14-20)19-9-11-22(12-10-19)33(31,32)17-21(24(28)25-29)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-16,21,29H,4,7-8,17H2,(H,25,28) | 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 | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-8 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50290671
((S)-4-(2,5-Dioxo-pyrrolidin-1-yl)-2-mercapto-N-[(R...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)[C@@H](S)CCN1C(=O)CCC1=O Show InChI InChI=1S/C22H30N4O5S2/c1-23-20(29)15(12-14-6-4-3-5-7-14)24-21(30)16(13-33-2)25-22(31)17(32)10-11-26-18(27)8-9-19(26)28/h3-7,15-17,32H,8-13H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)/t15-,16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-3, MMP-3 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Rattus norvegicus (Rat)) | BDBM50290672
((S)-2-(2-Mercapto-acetylamino)-4-methyl-pentanoic ...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CS Show InChI InChI=1S/C18H27N3O3S/c1-12(2)9-14(20-16(22)11-25)18(24)21-15(17(23)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,23)(H,20,22)(H,21,24)/t14-,15-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against Matrix metalloproteinase-9 in adjuvant arthritic rat model of rheumatoid arthritis |
Bioorg Med Chem Lett 7: 897-902 (1997)
Article DOI: 10.1016/S0960-894X(97)00125-X
BindingDB Entry DOI: 10.7270/Q2PC32CH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50290672
((S)-2-(2-Mercapto-acetylamino)-4-methyl-pentanoic ...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CS Show InChI InChI=1S/C18H27N3O3S/c1-12(2)9-14(20-16(22)11-25)18(24)21-15(17(23)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,23)(H,20,22)(H,21,24)/t14-,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-9, MMP-9 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
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