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Compile Data Set for Download or QSAR

Found 3 hits of ph data with Target = 'Matrix metalloproteinase (1 and 13)'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Matrix metalloproteinase (1 and 13)


(homo sapiens (human))
BDBM50013124
PNG
(N-(Ethylphosphoryl)-L-isoleucyl-L-Trp-NHCH3)
Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC
Show InChI InChI=1S/C20H31N4O5P/c1-5-13(3)18(24-30(27,28)29-6-2)20(26)23-17(19(25)21-4)11-14-12-22-16-10-8-7-9-15(14)16/h7-10,12-13,17-18,22H,5-6,11H2,1-4H3,(H,21,25)(H,23,26)(H2,24,27,28)/p-1/t13-,17?,18-/m0/s1
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Article
PubMed
900n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Assayed against human skin fibroblast Collagenase using the spectrophotometric assay with the thiol ester substrate at pH 6.5.


J Med Chem 33: 263-73 (1990)


Article DOI: 10.1021/jm00163a044
BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair
Matrix metalloproteinase (1 and 13)


(homo sapiens (human))
BDBM50367932
PNG
(CHEMBL1744403)
Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1ccc(OCc2cc(Cl)cc(Cl)c2)cc1)C(=O)NCC([O-])=O
Show InChI InChI=1S/C26H34Cl2N3O8P/c1-4-16(3)24(31-40(36,37)39-5-2)26(35)30-22(25(34)29-14-23(32)33)12-17-6-8-21(9-7-17)38-15-18-10-19(27)13-20(28)11-18/h6-11,13,16,22,24H,4-5,12,14-15H2,1-3H3,(H,29,34)(H,30,35)(H,32,33)(H2,31,36,37)/p-2/t16-,22?,24-/m0/s1
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Article
PubMed
1.30E+4n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of human skin fibroblast Collagenase at pH 7.5


J Med Chem 33: 263-73 (1990)


Article DOI: 10.1021/jm00163a044
BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair
Matrix metalloproteinase (1 and 13)


(homo sapiens (human))
BDBM50367930
PNG
(CHEMBL2369488)
Show SMILES [K+].[K+].CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)NCC([O-])=O
Show InChI InChI=1S/C13H26N3O7P.2K/c1-5-8(3)11(16-24(21,22)23-6-2)13(20)15-9(4)12(19)14-7-10(17)18;;/h8-9,11H,5-7H2,1-4H3,(H,14,19)(H,15,20)(H,17,18)(H2,16,21,22);;/q;2*+1/p-2/t8-,9-,11-;;/m0../s1
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Article
PubMed
1.47E+5n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of human skin fibroblast Collagenase at pH 7.5


J Med Chem 33: 263-73 (1990)


Article DOI: 10.1021/jm00163a044
BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair