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2 similar compounds to monomer 50070257

Compile data set for download or QSAR
Wt: 330.4
BDBM50070254
Wt: 499.7
BDBM50070258

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50070254,50070258   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Collagenase


(Homo sapiens (Human))
BDBM50070254
PNG
((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
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n/an/a 8n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-9, gelatinase-B


Bioorg Med Chem Lett 8: 1163-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00186-3
BindingDB Entry DOI: 10.7270/Q2348JH9
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50070258
PNG
((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
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n/an/a 20n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-9, gelatinase-B


Bioorg Med Chem Lett 8: 1163-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00186-3
BindingDB Entry DOI: 10.7270/Q2348JH9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50070258
PNG
((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
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n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1, Collagenase-1


Bioorg Med Chem Lett 8: 1163-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00186-3
BindingDB Entry DOI: 10.7270/Q2348JH9
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50070254
PNG
((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
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n/an/a 480n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3, stromelysin-1


Bioorg Med Chem Lett 8: 1163-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00186-3
BindingDB Entry DOI: 10.7270/Q2348JH9
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50070258
PNG
((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
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PubMed
n/an/a 36n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3, stromelysin-1


Bioorg Med Chem Lett 8: 1163-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00186-3
BindingDB Entry DOI: 10.7270/Q2348JH9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50070254
PNG
((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
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Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1, Collagenase-1


Bioorg Med Chem Lett 8: 1163-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00186-3
BindingDB Entry DOI: 10.7270/Q2348JH9
More data for this
Ligand-Target Pair