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2 similar compounds to monomer 50043594

Compile data set for download or QSAR
Wt: 468.5
BDBM50043584
Wt: 468.5
BDBM50043592

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50043584,50043592   
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
Stromelysin-1


(Homo sapiens (Human))
BDBM50043584
PNG
(1N-(4-methoxyphenyl)-2-[1-[1-amino-(1R)-ethylcarbo...)
Show SMILES COc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](C)N)cc1
Show InChI InChI=1S/C26H36N4O4/c1-17(2)16-23(26(33)28-20-11-13-21(34-4)14-12-20)30-25(32)22(29-24(31)18(3)27)15-10-19-8-6-5-7-9-19/h5-9,11-14,17-18,22-23H,10,15-16,27H2,1-4H3,(H,28,33)(H,29,31)(H,30,32)/t18-,22+,23+/m1/s1
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Article
PubMed
230n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin


J Med Chem 36: 4293-301 (1994)


Article DOI: 10.1021/jm00078a019
BindingDB Entry DOI: 10.7270/Q2Z31XQ9
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50043592
PNG
(1N-(3-methoxyphenyl)-2-[1-[1-amino-(1R)-ethylcarbo...)
Show SMILES COc1cccc(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](C)N)c1
Show InChI InChI=1S/C26H36N4O4/c1-17(2)15-23(26(33)28-20-11-8-12-21(16-20)34-4)30-25(32)22(29-24(31)18(3)27)14-13-19-9-6-5-7-10-19/h5-12,16-18,22-23H,13-15,27H2,1-4H3,(H,28,33)(H,29,31)(H,30,32)/t18-,22+,23+/m1/s1
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590n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin


J Med Chem 36: 4293-301 (1994)


Article DOI: 10.1021/jm00078a019
BindingDB Entry DOI: 10.7270/Q2Z31XQ9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043592
PNG
(1N-(3-methoxyphenyl)-2-[1-[1-amino-(1R)-ethylcarbo...)
Show SMILES COc1cccc(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](C)N)c1
Show InChI InChI=1S/C26H36N4O4/c1-17(2)15-23(26(33)28-20-11-8-12-21(16-20)34-4)30-25(32)22(29-24(31)18(3)27)14-13-19-9-6-5-7-10-19/h5-12,16-18,22-23H,13-15,27H2,1-4H3,(H,28,33)(H,29,31)(H,30,32)/t18-,22+,23+/m1/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


J Med Chem 36: 4293-301 (1994)


Article DOI: 10.1021/jm00078a019
BindingDB Entry DOI: 10.7270/Q2Z31XQ9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043584
PNG
(1N-(4-methoxyphenyl)-2-[1-[1-amino-(1R)-ethylcarbo...)
Show SMILES COc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](C)N)cc1
Show InChI InChI=1S/C26H36N4O4/c1-17(2)16-23(26(33)28-20-11-13-21(34-4)14-12-20)30-25(32)22(29-24(31)18(3)27)15-10-19-8-6-5-7-9-19/h5-9,11-14,17-18,22-23H,10,15-16,27H2,1-4H3,(H,28,33)(H,29,31)(H,30,32)/t18-,22+,23+/m1/s1
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Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


J Med Chem 36: 4293-301 (1994)


Article DOI: 10.1021/jm00078a019
BindingDB Entry DOI: 10.7270/Q2Z31XQ9
More data for this
Ligand-Target Pair