Found 185 hits with Last Name = 'campbell' and Initial = 'da' 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 |
|---|
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50070256
((R)-2-((S)-2-Hydroxy-3-mercapto-propyl)-nonanoic a...)Show SMILES CCCCCCC[C@H](C[C@H](O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C19H38N2O3S/c1-6-7-8-9-10-11-14(12-15(22)13-25)17(23)21-16(18(24)20-5)19(2,3)4/h14-16,22,25H,6-13H2,1-5H3,(H,20,24)(H,21,23)/t14-,15+,16-/m1/s1 | 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 | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-9, gelatinase-B |
Bioorg Med Chem Lett 8: 1163-8 (1999)
BindingDB Entry DOI: 10.7270/Q2348JH9 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50070257
((R)-2-(3-Mercapto-2-oxo-propyl)-nonanoic acid ((S)...)Show SMILES CCCCCCC[C@H](CC(=O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C19H36N2O3S/c1-6-7-8-9-10-11-14(12-15(22)13-25)17(23)21-16(18(24)20-5)19(2,3)4/h14,16,25H,6-13H2,1-5H3,(H,20,24)(H,21,23)/t14-,16-/m1/s1 | 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 | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-9, gelatinase-B |
Bioorg Med Chem Lett 8: 1163-8 (1999)
BindingDB Entry DOI: 10.7270/Q2348JH9 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50070228
(2-(2-Mercapto-acetyl)-nonanoic acid ((S)-2,2-dimet...)Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C18H34N2O3S/c1-6-7-8-9-10-11-13(14(21)12-24)16(22)20-15(17(23)19-5)18(2,3)4/h13,15,24H,6-12H2,1-5H3,(H,19,23)(H,20,22)/t13?,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against gelatinase-B(MMP-9). |
Bioorg Med Chem Lett 8: 1157-62 (1999)
BindingDB Entry DOI: 10.7270/Q26W997Q |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50070247
(2-(2-Mercapto-acetyl)-nonanoic acid ((S)-2-cyclohe...)Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C28H44N2O3S/c1-2-3-4-5-12-17-24(26(31)21-34)27(32)30-25(20-23-15-10-7-11-16-23)28(33)29-19-18-22-13-8-6-9-14-22/h6,8-9,13-14,23-25,34H,2-5,7,10-12,15-21H2,1H3,(H,29,33)(H,30,32)/t24?,25-/m0/s1 | 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 | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against gelatinase-B(MMP-9). |
Bioorg Med Chem Lett 8: 1157-62 (1999)
BindingDB Entry DOI: 10.7270/Q26W997Q |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50070227
(2-(2-Mercapto-acetyl)-nonanoic acid ((S)-3-methyl-...)Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1 Show InChI InChI=1S/C23H36N2O3S/c1-4-5-6-7-11-14-19(21(26)16-29)22(27)25-20(15-17(2)3)23(28)24-18-12-9-8-10-13-18/h8-10,12-13,17,19-20,29H,4-7,11,14-16H2,1-3H3,(H,24,28)(H,25,27)/t19?,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against gelatinase-B(MMP-9). |
Bioorg Med Chem Lett 8: 1157-62 (1999)
BindingDB Entry DOI: 10.7270/Q26W997Q |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50070250
(2-(1-Hydroxy-2-mercapto-ethyl)-5-phenyl-pentanoic ...)Show SMILES OC(CS)C(CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C30H42N2O3S/c33-28(22-36)26(18-10-17-23-11-4-1-5-12-23)29(34)32-27(21-25-15-8-3-9-16-25)30(35)31-20-19-24-13-6-2-7-14-24/h1-2,4-7,11-14,25-28,33,36H,3,8-10,15-22H2,(H,31,35)(H,32,34)/t26?,27-,28?/m0/s1 | 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 | >2 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against stromelysin-3 (MMP-3) |
Bioorg Med Chem Lett 8: 1157-62 (1999)
BindingDB Entry DOI: 10.7270/Q26W997Q |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50225074
((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2 |TLB:1:12:15:20.18.17,THB:13:14:17:22.12.21,13:12:15.14.20:17,21:12:15:20.18.17,21:18:15:22.13.12,19:18:15:22.13.12| Show InChI InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Phenomix Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP4 by fluorescence assay |
Bioorg Med Chem Lett 19: 4437-40 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11695
((2S)-1-{2-[(3-hydroxyadamantan-1-yl)amino]acetyl}p...)Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |r,TLB:9:8:6:3.2.4,4:3:10:7.6.5,4:5:10:3.2.9,THB:9:3:6:10.7.8,11:8:6:3.2.4| Show InChI InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Phenomix Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP4 by fluorescence assay |
Bioorg Med Chem Lett 19: 4437-40 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50070226
(2-(2-Mercapto-acetyl)-nonanoic acid {(S)-2-cyclohe...)Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C28H45N3O5S2/c1-2-3-4-5-9-12-24(26(32)20-37)27(33)31-25(19-22-10-7-6-8-11-22)28(34)30-18-17-21-13-15-23(16-14-21)38(29,35)36/h13-16,22,24-25,37H,2-12,17-20H2,1H3,(H,30,34)(H,31,33)(H2,29,35,36)/t24?,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against gelatinase-B(MMP-9). |
Bioorg Med Chem Lett 8: 1157-62 (1999)
BindingDB Entry DOI: 10.7270/Q26W997Q |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50070256
((R)-2-((S)-2-Hydroxy-3-mercapto-propyl)-nonanoic a...)Show SMILES CCCCCCC[C@H](C[C@H](O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C19H38N2O3S/c1-6-7-8-9-10-11-14(12-15(22)13-25)17(23)21-16(18(24)20-5)19(2,3)4/h14-16,22,25H,6-13H2,1-5H3,(H,20,24)(H,21,23)/t14-,15+,16-/m1/s1 | 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 |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-1, Collagenase-1 |
Bioorg Med Chem Lett 8: 1163-8 (1999)
BindingDB Entry DOI: 10.7270/Q2348JH9 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50063920
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)CC(=O)NO)C(C)(C)C Show InChI InChI=1S/C15H29N3O4/c1-9(2)7-10(8-11(19)18-22)13(20)17-12(14(21)16-6)15(3,4)5/h9-10,12,22H,7-8H2,1-6H3,(H,16,21)(H,17,20)(H,18,19)/t10-,12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
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 |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-1, Collagenase-1 |
Bioorg Med Chem Lett 8: 1163-8 (1999)
BindingDB Entry DOI: 10.7270/Q2348JH9 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50070223
(2-(2-Mercapto-acetyl)-nonanoic acid ((S)-3-methyl-...)Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C25H40N2O3S/c1-4-5-6-7-11-14-21(23(28)18-31)24(29)27-22(17-19(2)3)25(30)26-16-15-20-12-9-8-10-13-20/h8-10,12-13,19,21-22,31H,4-7,11,14-18H2,1-3H3,(H,26,30)(H,27,29)/t21?,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against gelatinase-B(MMP-9). |
Bioorg Med Chem Lett 8: 1157-62 (1999)
BindingDB Entry DOI: 10.7270/Q26W997Q |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50070229
(2-(2-Mercapto-acetyl)-4-methyl-pentanoic acid ((S)...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CC(C)C)C(=O)CS)C(C)(C)C Show InChI InChI=1S/C15H28N2O3S/c1-9(2)7-10(11(18)8-21)13(19)17-12(14(20)16-6)15(3,4)5/h9-10,12,21H,7-8H2,1-6H3,(H,16,20)(H,17,19)/t10?,12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against gelatinase-B(MMP-9). |
Bioorg Med Chem Lett 8: 1157-62 (1999)
BindingDB Entry DOI: 10.7270/Q26W997Q |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50070239
(2-(2-Mercapto-acetyl)-nonanoic acid [(S)-3-methyl-...)Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C23H43N3O4S/c1-4-5-6-7-8-9-19(21(27)17-31)22(28)25-20(16-18(2)3)23(29)24-10-11-26-12-14-30-15-13-26/h18-20,31H,4-17H2,1-3H3,(H,24,29)(H,25,28)/t19?,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against gelatinase-B(MMP-9). |
Bioorg Med Chem Lett 8: 1157-62 (1999)
BindingDB Entry DOI: 10.7270/Q26W997Q |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50070253
((2R,4S)-4-Hydroxy-2-isobutyl-5-mercapto-pentanoic ...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)C[C@H](O)CS)C(C)(C)C Show InChI InChI=1S/C16H32N2O3S/c1-10(2)7-11(8-12(19)9-22)14(20)18-13(15(21)17-6)16(3,4)5/h10-13,19,22H,7-9H2,1-6H3,(H,17,21)(H,18,20)/t11-,12+,13-/m1/s1 | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-9, gelatinase-B |
Bioorg Med Chem Lett 8: 1163-8 (1999)
BindingDB Entry DOI: 10.7270/Q2348JH9 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50070257
((R)-2-(3-Mercapto-2-oxo-propyl)-nonanoic acid ((S)...)Show SMILES CCCCCCC[C@H](CC(=O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C19H36N2O3S/c1-6-7-8-9-10-11-14(12-15(22)13-25)17(23)21-16(18(24)20-5)19(2,3)4/h14,16,25H,6-13H2,1-5H3,(H,20,24)(H,21,23)/t14-,16-/m1/s1 | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-3, stromelysin-1 |
Bioorg Med Chem Lett 8: 1163-8 (1999)
BindingDB Entry DOI: 10.7270/Q2348JH9 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50070254
((R)-2-Isobutyl-5-mercapto-4-oxo-pentanoic acid ((S...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)CC(=O)CS)C(C)(C)C Show InChI InChI=1S/C16H30N2O3S/c1-10(2)7-11(8-12(19)9-22)14(20)18-13(15(21)17-6)16(3,4)5/h10-11,13,22H,7-9H2,1-6H3,(H,17,21)(H,18,20)/t11-,13-/m1/s1 | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-9, gelatinase-B |
Bioorg Med Chem Lett 8: 1163-8 (1999)
BindingDB Entry DOI: 10.7270/Q2348JH9 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50070256
((R)-2-((S)-2-Hydroxy-3-mercapto-propyl)-nonanoic a...)Show SMILES CCCCCCC[C@H](C[C@H](O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C19H38N2O3S/c1-6-7-8-9-10-11-14(12-15(22)13-25)17(23)21-16(18(24)20-5)19(2,3)4/h14-16,22,25H,6-13H2,1-5H3,(H,20,24)(H,21,23)/t14-,15+,16-/m1/s1 | 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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-3, stromelysin-1 |
Bioorg Med Chem Lett 8: 1163-8 (1999)
BindingDB Entry DOI: 10.7270/Q2348JH9 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50070235
(2-(1-Hydroxy-2-mercapto-ethyl)-nonanoic acid [(S)-...)Show SMILES CCCCCCCC(C(O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C23H45N3O4S/c1-4-5-6-7-8-9-19(21(27)17-31)22(28)25-20(16-18(2)3)23(29)24-10-11-26-12-14-30-15-13-26/h18-21,27,31H,4-17H2,1-3H3,(H,24,29)(H,25,28)/t19?,20-,21?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against collagenase-1(MMP-1). |
Bioorg Med Chem Lett 8: 1157-62 (1999)
BindingDB Entry DOI: 10.7270/Q26W997Q |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50070257
((R)-2-(3-Mercapto-2-oxo-propyl)-nonanoic acid ((S)...)Show SMILES CCCCCCC[C@H](CC(=O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C19H36N2O3S/c1-6-7-8-9-10-11-14(12-15(22)13-25)17(23)21-16(18(24)20-5)19(2,3)4/h14,16,25H,6-13H2,1-5H3,(H,20,24)(H,21,23)/t14-,16-/m1/s1 | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-1, Collagenase-1 |
Bioorg Med Chem Lett 8: 1163-8 (1999)
BindingDB Entry DOI: 10.7270/Q2348JH9 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50070233
(2-(1-Hydroxy-2-mercapto-ethyl)-nonanoic acid [(S)-...)Show SMILES CCCCCCCC(C(O)CS)C(=O)N[C@@H](CCCCNS(=O)(=O)c1ccc(C)cc1)C(=O)NC(=O)C(CC(C)C)NCC Show InChI InChI=1S/C32H56N4O6S2/c1-6-8-9-10-11-14-26(29(37)22-43)30(38)35-27(31(39)36-32(40)28(33-7-2)21-23(3)4)15-12-13-20-34-44(41,42)25-18-16-24(5)17-19-25/h16-19,23,26-29,33-34,37,43H,6-15,20-22H2,1-5H3,(H,35,38)(H,36,39,40)/t26?,27-,28?,29?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against collagenase-1(MMP-1). |
Bioorg Med Chem Lett 8: 1157-62 (1999)
BindingDB Entry DOI: 10.7270/Q26W997Q |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50070241
(2-(2-Mercapto-acetyl)-nonanoic acid [(S)-1-(2-ethy...)Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NC(=O)C(CC(C)C)NCC Show InChI InChI=1S/C25H47N3O4S/c1-7-9-10-11-12-13-19(22(29)16-33)23(30)27-21(15-18(5)6)25(32)28-24(31)20(26-8-2)14-17(3)4/h17-21,26,33H,7-16H2,1-6H3,(H,27,30)(H,28,31,32)/t19?,20?,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against collagenase-1(MMP-1). |
Bioorg Med Chem Lett 8: 1157-62 (1999)
BindingDB Entry DOI: 10.7270/Q26W997Q |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50070254
((R)-2-Isobutyl-5-mercapto-4-oxo-pentanoic acid ((S...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)CC(=O)CS)C(C)(C)C Show InChI InChI=1S/C16H30N2O3S/c1-10(2)7-11(8-12(19)9-22)14(20)18-13(15(21)17-6)16(3,4)5/h10-11,13,22H,7-9H2,1-6H3,(H,17,21)(H,18,20)/t11-,13-/m1/s1 | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-1, Collagenase-1 |
Bioorg Med Chem Lett 8: 1163-8 (1999)
BindingDB Entry DOI: 10.7270/Q2348JH9 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50070253
((2R,4S)-4-Hydroxy-2-isobutyl-5-mercapto-pentanoic ...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)C[C@H](O)CS)C(C)(C)C Show InChI InChI=1S/C16H32N2O3S/c1-10(2)7-11(8-12(19)9-22)14(20)18-13(15(21)17-6)16(3,4)5/h10-13,19,22H,7-9H2,1-6H3,(H,17,21)(H,18,20)/t11-,12+,13-/m1/s1 | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-1, Collagenase-1 |
Bioorg Med Chem Lett 8: 1163-8 (1999)
BindingDB Entry DOI: 10.7270/Q2348JH9 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50063920
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)CC(=O)NO)C(C)(C)C Show InChI InChI=1S/C15H29N3O4/c1-9(2)7-10(8-11(19)18-22)13(20)17-12(14(21)16-6)15(3,4)5/h9-10,12,22H,7-8H2,1-6H3,(H,16,21)(H,17,20)(H,18,19)/t10-,12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-9, gelatinase-B |
Bioorg Med Chem Lett 8: 1163-8 (1999)
BindingDB Entry DOI: 10.7270/Q2348JH9 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50070251
((R)-2-((R)-2-Hydroxy-3-mercapto-propyl)-nonanoic a...)Show SMILES CCCCCCC[C@H](C[C@@H](O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C19H38N2O3S/c1-6-7-8-9-10-11-14(12-15(22)13-25)17(23)21-16(18(24)20-5)19(2,3)4/h14-16,22,25H,6-13H2,1-5H3,(H,20,24)(H,21,23)/t14-,15-,16-/m1/s1 | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-9, gelatinase-B |
Bioorg Med Chem Lett 8: 1163-8 (1999)
BindingDB Entry DOI: 10.7270/Q2348JH9 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50070240
(2-(2-Mercapto-acetyl)-nonanoic acid [(S)-1-(2-ethy...)Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CCCCNS(=O)(=O)c1ccc(C)cc1)C(=O)NC(=O)C(CC(C)C)NCC Show InChI InChI=1S/C32H54N4O6S2/c1-6-8-9-10-11-14-26(29(37)22-43)30(38)35-27(31(39)36-32(40)28(33-7-2)21-23(3)4)15-12-13-20-34-44(41,42)25-18-16-24(5)17-19-25/h16-19,23,26-28,33-34,43H,6-15,20-22H2,1-5H3,(H,35,38)(H,36,39,40)/t26?,27-,28?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against stromelysin-3 (MMP-3) |
Bioorg Med Chem Lett 8: 1157-62 (1999)
BindingDB Entry DOI: 10.7270/Q26W997Q |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50070229
(2-(2-Mercapto-acetyl)-4-methyl-pentanoic acid ((S)...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CC(C)C)C(=O)CS)C(C)(C)C Show InChI InChI=1S/C15H28N2O3S/c1-9(2)7-10(11(18)8-21)13(19)17-12(14(20)16-6)15(3,4)5/h9-10,12,21H,7-8H2,1-6H3,(H,16,20)(H,17,19)/t10?,12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against collagenase-1(MMP-1). |
Bioorg Med Chem Lett 8: 1157-62 (1999)
BindingDB Entry DOI: 10.7270/Q26W997Q |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50070228
(2-(2-Mercapto-acetyl)-nonanoic acid ((S)-2,2-dimet...)Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C18H34N2O3S/c1-6-7-8-9-10-11-13(14(21)12-24)16(22)20-15(17(23)19-5)18(2,3)4/h13,15,24H,6-12H2,1-5H3,(H,19,23)(H,20,22)/t13?,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against collagenase-1(MMP-1). |
Bioorg Med Chem Lett 8: 1157-62 (1999)
BindingDB Entry DOI: 10.7270/Q26W997Q |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50070228
(2-(2-Mercapto-acetyl)-nonanoic acid ((S)-2,2-dimet...)Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C18H34N2O3S/c1-6-7-8-9-10-11-13(14(21)12-24)16(22)20-15(17(23)19-5)18(2,3)4/h13,15,24H,6-12H2,1-5H3,(H,19,23)(H,20,22)/t13?,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against stromelysin-3 (MMP-3) |
Bioorg Med Chem Lett 8: 1157-62 (1999)
BindingDB Entry DOI: 10.7270/Q26W997Q |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50070234
(2-(2-Mercapto-acetyl)-4-methyl-pentanoic acid [(S)...)Show SMILES CC(C)CC(C(=O)CS)C(=O)N[C@H](C(=O)Nc1ccccn1)C(C)(C)C Show InChI InChI=1S/C19H29N3O3S/c1-12(2)10-13(14(23)11-26)17(24)22-16(19(3,4)5)18(25)21-15-8-6-7-9-20-15/h6-9,12-13,16,26H,10-11H2,1-5H3,(H,22,24)(H,20,21,25)/t13?,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against gelatinase-B(MMP-9). |
Bioorg Med Chem Lett 8: 1157-62 (1999)
BindingDB Entry DOI: 10.7270/Q26W997Q |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50070225
(2-(1-Hydroxy-2-mercapto-ethyl)-4-methyl-pentanoic ...)Show SMILES CNC(=O)[C@@H](NC(=O)C(CC(C)C)C(O)CS)C(C)(C)C Show InChI InChI=1S/C15H30N2O3S/c1-9(2)7-10(11(18)8-21)13(19)17-12(14(20)16-6)15(3,4)5/h9-12,18,21H,7-8H2,1-6H3,(H,16,20)(H,17,19)/t10?,11?,12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >20 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against stromelysin-3 (MMP-3) |
Bioorg Med Chem Lett 8: 1157-62 (1999)
BindingDB Entry DOI: 10.7270/Q26W997Q |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50070258
((R)-2-(3-Mercapto-2-oxo-propyl)-nonanoic acid [(S)...)Show SMILES CCCCCCC[C@H](CC(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NC(=O)C(CC(C)C)NCC Show InChI InChI=1S/C26H49N3O4S/c1-7-9-10-11-12-13-20(16-21(30)17-34)24(31)28-23(15-19(5)6)26(33)29-25(32)22(27-8-2)14-18(3)4/h18-20,22-23,27,34H,7-17H2,1-6H3,(H,28,31)(H,29,32,33)/t20-,22?,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-9, gelatinase-B |
Bioorg Med Chem Lett 8: 1163-8 (1999)
BindingDB Entry DOI: 10.7270/Q2348JH9 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50070230
(2-(1-Hydroxy-2-mercapto-ethyl)-nonanoic acid ((S)-...)Show SMILES CCCCCCCC(C(O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C25H42N2O3S/c1-4-5-6-7-11-14-21(23(28)18-31)24(29)27-22(17-19(2)3)25(30)26-16-15-20-12-9-8-10-13-20/h8-10,12-13,19,21-23,28,31H,4-7,11,14-18H2,1-3H3,(H,26,30)(H,27,29)/t21?,22-,23?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >20 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against collagenase-1(MMP-1). |
Bioorg Med Chem Lett 8: 1157-62 (1999)
BindingDB Entry DOI: 10.7270/Q26W997Q |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50070223
(2-(2-Mercapto-acetyl)-nonanoic acid ((S)-3-methyl-...)Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C25H40N2O3S/c1-4-5-6-7-11-14-21(23(28)18-31)24(29)27-22(17-19(2)3)25(30)26-16-15-20-12-9-8-10-13-20/h8-10,12-13,19,21-22,31H,4-7,11,14-18H2,1-3H3,(H,26,30)(H,27,29)/t21?,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >20 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against collagenase-1(MMP-1). |
Bioorg Med Chem Lett 8: 1157-62 (1999)
BindingDB Entry DOI: 10.7270/Q26W997Q |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50070244
(2-(1-Hydroxy-2-mercapto-ethyl)-nonanoic acid [(S)-...)Show SMILES CCCCCCCC(C(O)CS)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C26H49N3O4S/c1-2-3-4-5-9-12-22(24(30)20-34)25(31)28-23(19-21-10-7-6-8-11-21)26(32)27-13-14-29-15-17-33-18-16-29/h21-24,30,34H,2-20H2,1H3,(H,27,32)(H,28,31)/t22?,23-,24?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >20 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against collagenase-1(MMP-1). |
Bioorg Med Chem Lett 8: 1157-62 (1999)
BindingDB Entry DOI: 10.7270/Q26W997Q |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50076153
(2-((2S,5R)-2-(4-nitrobenzyl)-5-(mercaptomethyl)-3,...)Show SMILES COc1ccc(cc1)C(N1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O)C(=O)NC(C)(C)C Show InChI InChI=1S/C25H30N4O6S/c1-25(2,3)27-23(31)21(16-7-11-18(35-4)12-8-16)28-20(22(30)26-19(14-36)24(28)32)13-15-5-9-17(10-6-15)29(33)34/h5-12,19-21,36H,13-14H2,1-4H3,(H,26,30)(H,27,31)/t19-,20-,21?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-1 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50070236
(2-(2-Mercapto-acetyl)-nonanoic acid {(S)-2,2-dimet...)Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@H](C(=O)NCCc1ccc(cc1)S(N)(=O)=O)C(C)(C)C Show InChI InChI=1S/C25H41N3O5S2/c1-5-6-7-8-9-10-20(21(29)17-34)23(30)28-22(25(2,3)4)24(31)27-16-15-18-11-13-19(14-12-18)35(26,32)33/h11-14,20,22,34H,5-10,15-17H2,1-4H3,(H,27,31)(H,28,30)(H2,26,32,33)/t20?,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against stromelysin-3 (MMP-3) |
Bioorg Med Chem Lett 8: 1157-62 (1999)
BindingDB Entry DOI: 10.7270/Q26W997Q |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50076158
(2-((2S,5R)-2-(4-nitrobenzyl)-5-(mercaptomethyl)-3,...)Show SMILES CC(C)CC(N1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O)C(=O)NC(C)(C)C Show InChI InChI=1S/C22H32N4O5S/c1-13(2)10-17(20(28)24-22(3,4)5)25-18(19(27)23-16(12-32)21(25)29)11-14-6-8-15(9-7-14)26(30)31/h6-9,13,16-18,32H,10-12H2,1-5H3,(H,23,27)(H,24,28)/t16-,17?,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-1 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50070255
((R)-2-((S)-2-Hydroxy-3-mercapto-propyl)-nonanoic a...)Show SMILES CCCCCCC[C@H](C[C@H](O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NC(=O)C(CC(C)C)NCC Show InChI InChI=1S/C26H51N3O4S/c1-7-9-10-11-12-13-20(16-21(30)17-34)24(31)28-23(15-19(5)6)26(33)29-25(32)22(27-8-2)14-18(3)4/h18-23,27,30,34H,7-17H2,1-6H3,(H,28,31)(H,29,32,33)/t20-,21+,22?,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-9, gelatinase-B |
Bioorg Med Chem Lett 8: 1163-8 (1999)
BindingDB Entry DOI: 10.7270/Q2348JH9 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50076151
(2-((2S,5R)-2-(4-nitrobenzyl)-5-(mercaptomethyl)-3,...)Show SMILES CC(C)(C)NC(=O)C(N1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O)c1ccccc1 Show InChI InChI=1S/C24H28N4O5S/c1-24(2,3)26-22(30)20(16-7-5-4-6-8-16)27-19(21(29)25-18(14-34)23(27)31)13-15-9-11-17(12-10-15)28(32)33/h4-12,18-20,34H,13-14H2,1-3H3,(H,25,29)(H,26,30)/t18-,19-,20?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-1 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50070241
(2-(2-Mercapto-acetyl)-nonanoic acid [(S)-1-(2-ethy...)Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NC(=O)C(CC(C)C)NCC Show InChI InChI=1S/C25H47N3O4S/c1-7-9-10-11-12-13-19(22(29)16-33)23(30)27-21(15-18(5)6)25(32)28-24(31)20(26-8-2)14-17(3)4/h17-21,26,33H,7-16H2,1-6H3,(H,27,30)(H,28,31,32)/t19?,20?,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against stromelysin-3 (MMP-3) |
Bioorg Med Chem Lett 8: 1157-62 (1999)
BindingDB Entry DOI: 10.7270/Q26W997Q |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50295970
((3R,6S,7aS)-6-amino-5-oxo-6-phenylhexahydropyrrolo...)Show SMILES N[C@@]1(C[C@@H]2SC[C@@H](C#N)N2C1=O)c1ccccc1 |r| Show InChI InChI=1S/C13H13N3OS/c14-7-10-8-18-11-6-13(15,12(17)16(10)11)9-4-2-1-3-5-9/h1-5,10-11H,6,8,15H2/t10-,11+,13+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Phenomix Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP4 by fluorescence assay |
Bioorg Med Chem Lett 19: 4437-40 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50070242
(2-(2-Mercapto-acetyl)-nonanoic acid [(S)-1-(2-ethy...)Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CCCC)C(=O)NC(=O)C(CC(C)C)NCC Show InChI InChI=1S/C25H47N3O4S/c1-6-9-11-12-13-14-19(22(29)17-33)23(30)27-20(15-10-7-2)24(31)28-25(32)21(26-8-3)16-18(4)5/h18-21,26,33H,6-17H2,1-5H3,(H,27,30)(H,28,31,32)/t19?,20-,21?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against stromelysin-3 (MMP-3) |
Bioorg Med Chem Lett 8: 1157-62 (1999)
BindingDB Entry DOI: 10.7270/Q26W997Q |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50064797
((3R,6S)-6-Cyclohexylmethyl-3-mercaptomethyl-1-(4-m...)Show SMILES COc1ccc(CN2[C@@H](CC3CCCCC3)C(=O)N[C@@H](CS)C2=O)cc1 Show InChI InChI=1S/C20H28N2O3S/c1-25-16-9-7-15(8-10-16)12-22-18(11-14-5-3-2-4-6-14)19(23)21-17(13-26)20(22)24/h7-10,14,17-18,26H,2-6,11-13H2,1H3,(H,21,23)/t17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-1 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50064797
((3R,6S)-6-Cyclohexylmethyl-3-mercaptomethyl-1-(4-m...)Show SMILES COc1ccc(CN2[C@@H](CC3CCCCC3)C(=O)N[C@@H](CS)C2=O)cc1 Show InChI InChI=1S/C20H28N2O3S/c1-25-16-9-7-15(8-10-16)12-22-18(11-14-5-3-2-4-6-14)19(23)21-17(13-26)20(22)24/h7-10,14,17-18,26H,2-6,11-13H2,1H3,(H,21,23)/t17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Matrix Metalloproteinase-1 |
J Med Chem 41: 2194-200 (1998)
Article DOI: 10.1021/jm980133j
BindingDB Entry DOI: 10.7270/Q2J38RN8 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50070241
(2-(2-Mercapto-acetyl)-nonanoic acid [(S)-1-(2-ethy...)Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NC(=O)C(CC(C)C)NCC Show InChI InChI=1S/C25H47N3O4S/c1-7-9-10-11-12-13-19(22(29)16-33)23(30)27-21(15-18(5)6)25(32)28-24(31)20(26-8-2)14-17(3)4/h17-21,26,33H,7-16H2,1-6H3,(H,27,30)(H,28,31,32)/t19?,20?,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against gelatinase-B(MMP-9). |
Bioorg Med Chem Lett 8: 1157-62 (1999)
BindingDB Entry DOI: 10.7270/Q26W997Q |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50295972
((3R,6S,7aS)-6-amino-6-isopropyl-5-oxohexahydropyrr...)Show SMILES CC(C)[C@@]1(N)C[C@@H]2SC[C@@H](C#N)N2C1=O |r| Show InChI InChI=1S/C10H15N3OS/c1-6(2)10(12)3-8-13(9(10)14)7(4-11)5-15-8/h6-8H,3,5,12H2,1-2H3/t7-,8+,10+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Phenomix Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP4 by fluorescence assay |
Bioorg Med Chem Lett 19: 4437-40 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50064794
((3R,6S)-6-Cyclohexylmethyl-3-mercaptomethyl-1-quin...)Show SMILES SC[C@@H]1NC(=O)[C@H](CC2CCCCC2)N(Cc2ccc3ccccc3n2)C1=O Show InChI InChI=1S/C22H27N3O2S/c26-21-20(12-15-6-2-1-3-7-15)25(22(27)19(14-28)24-21)13-17-11-10-16-8-4-5-9-18(16)23-17/h4-5,8-11,15,19-20,28H,1-3,6-7,12-14H2,(H,24,26)/t19-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Matrix Metalloproteinase-1 |
J Med Chem 41: 2194-200 (1998)
Article DOI: 10.1021/jm980133j
BindingDB Entry DOI: 10.7270/Q2J38RN8 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50076152
(2-((2S,5R)-2-(4-nitrobenzyl)-5-(mercaptomethyl)-3,...)Show SMILES CCCCCCCC(N1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O)C(=O)NC(C)(C)C Show InChI InChI=1S/C25H38N4O5S/c1-5-6-7-8-9-10-20(23(31)27-25(2,3)4)28-21(22(30)26-19(16-35)24(28)32)15-17-11-13-18(14-12-17)29(33)34/h11-14,19-21,35H,5-10,15-16H2,1-4H3,(H,26,30)(H,27,31)/t19-,20?,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-1 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Search and Browse
