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Compile Data Set for Download or QSAR

Found 338 hits with Last Name = 'vassiliou' and Initial = 's'   
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
Aminopeptidase N


(Homo sapiens (Human))
BDBM50078125
PNG
((1-Amino-3-phenyl-propyl)-phosphinic acid | CHEMBL...)
Show SMILES OP(O)C(=N)CCc1ccccc1
Show InChI InChI=1S/C9H12NO2P/c10-9(13(11)12)7-6-8-4-2-1-3-5-8/h1-5,10-12H,6-7H2
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0.160n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alanyl aminopeptidase after 30 to 60 mins by morrison's equation


J Med Chem 57: 8140-51 (2014)


Article DOI: 10.1021/jm501071f
BindingDB Entry DOI: 10.7270/Q2CF9RQF
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50025070
PNG
(CHEMBL3355110)
Show SMILES NCc1ccc(CC(CP(O)(=O)C(N)CCc2cccnc2)C(O)=O)cc1
Show InChI InChI=1/C19H26N3O4P/c20-11-15-5-3-14(4-6-15)10-17(19(23)24)13-27(25,26)18(21)8-7-16-2-1-9-22-12-16/h1-6,9,12,17-18H,7-8,10-11,13,20-21H2,(H,23,24)(H,25,26)
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0.210n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alanyl aminopeptidase after 30 to 60 mins by morrison's equation


J Med Chem 57: 8140-51 (2014)


Article DOI: 10.1021/jm501071f
BindingDB Entry DOI: 10.7270/Q2CF9RQF
More data for this
Ligand-Target Pair
Leucine aminopeptidase (LAP)


(Sus scrofa (Pig))
BDBM50024594
PNG
((R)-1-Ammonium-3-methyl-butane-1-phosphonic acid a...)
Show SMILES CC(C)C[C@H]([NH3+])P(O)([O-])=O
Show InChI InChI=1S/C5H14NO3P/c1-4(2)3-5(6)10(7,8)9/h4-5H,3,6H2,1-2H3,(H2,7,8,9)/t5-/m1/s1
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0.230n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of pig recombinant leucine aminopeptidase after 30 to 60 mins by morrison's equation


J Med Chem 57: 8140-51 (2014)


Article DOI: 10.1021/jm501071f
BindingDB Entry DOI: 10.7270/Q2CF9RQF
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50025048
PNG
(CHEMBL3355099)
Show SMILES N[C@@H](CCc1ccccc1)P(O)(O)=O |r|
Show InChI InChI=1/C9H14NO3P/c10-9(14(11,12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,10H2,(H2,11,12,13)/t9-/s2
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0.230n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alanyl aminopeptidase after 30 to 60 mins by morrison's equation


J Med Chem 57: 8140-51 (2014)


Article DOI: 10.1021/jm501071f
BindingDB Entry DOI: 10.7270/Q2CF9RQF
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50078937
PNG
((1-Benzyloxycarbonylamino-ethyl)-{3-benzylsulfanyl...)
Show SMILES CC(NC(=O)OCc1ccccc1)P(O)(=O)CC(CSCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C32H37N4O6PS/c1-22(35-32(39)42-18-23-10-4-2-5-11-23)43(40,41)19-26(21-44-20-24-12-6-3-7-13-24)31(38)36-29(30(33)37)16-25-17-34-28-15-9-8-14-27(25)28/h2-15,17,22,26,29,34H,16,18-21H2,1H3,(H2,33,37)(H,35,39)(H,36,38)(H,40,41)
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<0.5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50025066
PNG
(CHEMBL3355109)
Show SMILES NCc1ccc(CC(CP(O)(=O)C(N)CCc2ccccc2)C(O)=O)cc1
Show InChI InChI=1/C20H27N2O4P/c21-13-17-8-6-16(7-9-17)12-18(20(23)24)14-27(25,26)19(22)11-10-15-4-2-1-3-5-15/h1-9,18-19H,10-14,21-22H2,(H,23,24)(H,25,26)
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0.690n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alanyl aminopeptidase after 30 to 60 mins by morrison's equation


J Med Chem 57: 8140-51 (2014)


Article DOI: 10.1021/jm501071f
BindingDB Entry DOI: 10.7270/Q2CF9RQF
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50078947
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...)
Show SMILES COc1ccc(CSCC(CP(O)(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(N)=O)cc1
Show InChI InChI=1S/C39H43N4O7PS/c1-49-32-18-16-29(17-19-32)25-52-26-31(38(45)42-35(37(40)44)21-30-22-41-34-15-9-8-14-33(30)34)24-51(47,48)36(20-27-10-4-2-5-11-27)43-39(46)50-23-28-12-6-3-7-13-28/h2-19,22,31,35-36,41H,20-21,23-26H2,1H3,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)
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0.700n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50316049
PNG
(1-amino-3-phenylpropylphosphonic acid | CHEMBL1090...)
Show SMILES NC(CCc1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C9H14NO3P/c10-9(14(11,12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,10H2,(H2,11,12,13)
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0.790n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alanyl aminopeptidase after 30 to 60 mins by morrison's equation


J Med Chem 57: 8140-51 (2014)


Article DOI: 10.1021/jm501071f
BindingDB Entry DOI: 10.7270/Q2CF9RQF
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078935
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1
Show InChI InChI=1S/C40H41Cl2N6O5P/c41-29-20-32(42)31-22-35(46-34(31)21-29)39(50)47-37(18-26-12-5-2-6-13-26)54(52,53)24-27(15-9-14-25-10-3-1-4-11-25)40(51)48(44)36(38(43)49)19-28-23-45-33-17-8-7-16-30(28)33/h1-8,10-13,16-17,20-23,27,36-37,45-46H,9,14-15,18-19,24,44H2,(H2,43,49)(H,47,50)(H,52,53)
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0.900n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50025099
PNG
(CHEMBL3355111)
Show SMILES NCc1cccc(CC(CP(O)(=O)C(N)CCc2ccncc2)C(O)=O)c1
Show InChI InChI=1/C19H26N3O4P/c20-12-16-3-1-2-15(10-16)11-17(19(23)24)13-27(25,26)18(21)5-4-14-6-8-22-9-7-14/h1-3,6-10,17-18H,4-5,11-13,20-21H2,(H,23,24)(H,25,26)
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1.10n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alanyl aminopeptidase after 30 to 60 mins by morrison's equation


J Med Chem 57: 8140-51 (2014)


Article DOI: 10.1021/jm501071f
BindingDB Entry DOI: 10.7270/Q2CF9RQF
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50078125
PNG
((1-Amino-3-phenyl-propyl)-phosphinic acid | CHEMBL...)
Show SMILES OP(O)C(=N)CCc1ccccc1
Show InChI InChI=1S/C9H12NO2P/c10-9(13(11)12)7-6-8-4-2-1-3-5-8/h1-5,10-12H,6-7H2
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1.20n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of pig recombinant alanyl aminopeptidase after 30 to 60 mins by morrison's equation


J Med Chem 57: 8140-51 (2014)


Article DOI: 10.1021/jm501071f
BindingDB Entry DOI: 10.7270/Q2CF9RQF
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50025041
PNG
(CHEMBL3355106)
Show SMILES NC(CCc1ccncc1)P(O)(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1/C18H23N2O4P/c19-17(7-6-14-8-10-20-11-9-14)25(23,24)13-16(18(21)22)12-15-4-2-1-3-5-15/h1-5,8-11,16-17H,6-7,12-13,19H2,(H,21,22)(H,23,24)
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1.30n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alanyl aminopeptidase after 30 to 60 mins by morrison's equation


J Med Chem 57: 8140-51 (2014)


Article DOI: 10.1021/jm501071f
BindingDB Entry DOI: 10.7270/Q2CF9RQF
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50393210
PNG
(CHEMBL1235787)
Show SMILES CC(=N)P(O)(O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C21H27N2O5P/c1-15(22)29(27,28)14-18(12-16-8-4-2-5-9-16)20(24)23-19(21(25)26)13-17-10-6-3-7-11-17/h2-11,18-19,22,27-29H,12-14H2,1H3,(H,23,24)(H,25,26)/t18-,19+/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of porcine APN


Bioorg Med Chem Lett 26: 4122-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.062
BindingDB Entry DOI: 10.7270/Q2TT4SW1
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50078950
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C40H43N6O5P/c41-38(47)36(24-31-25-43-34-21-10-8-19-32(31)34)46(42)40(49)30(18-11-16-27-12-3-1-4-13-27)26-52(50,51)37(22-28-14-5-2-6-15-28)45-39(48)35-23-29-17-7-9-20-33(29)44-35/h1-10,12-15,17,19-21,23,25,30,36-37,43-44H,11,16,18,22,24,26,42H2,(H2,41,47)(H,45,48)(H,50,51)
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1.5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078950
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C40H43N6O5P/c41-38(47)36(24-31-25-43-34-21-10-8-19-32(31)34)46(42)40(49)30(18-11-16-27-12-3-1-4-13-27)26-52(50,51)37(22-28-14-5-2-6-15-28)45-39(48)35-23-29-17-7-9-20-33(29)44-35/h1-10,12-15,17,19-21,23,25,30,36-37,43-44H,11,16,18,22,24,26,42H2,(H2,41,47)(H,45,48)(H,50,51)
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1.5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50025070
PNG
(CHEMBL3355110)
Show SMILES NCc1ccc(CC(CP(O)(=O)C(N)CCc2cccnc2)C(O)=O)cc1
Show InChI InChI=1/C19H26N3O4P/c20-11-15-5-3-14(4-6-15)10-17(19(23)24)13-27(25,26)18(21)8-7-16-2-1-9-22-12-16/h1-6,9,12,17-18H,7-8,10-11,13,20-21H2,(H,23,24)(H,25,26)
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1.5n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of pig recombinant alanyl aminopeptidase after 30 to 60 mins by morrison's equation


J Med Chem 57: 8140-51 (2014)


Article DOI: 10.1021/jm501071f
BindingDB Entry DOI: 10.7270/Q2CF9RQF
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50025043
PNG
(CHEMBL3355104)
Show SMILES NC(CCc1ccc(CO)cc1)P(O)(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1/C20H26NO5P/c21-19(11-10-15-6-8-17(13-22)9-7-15)27(25,26)14-18(20(23)24)12-16-4-2-1-3-5-16/h1-9,18-19,22H,10-14,21H2,(H,23,24)(H,25,26)
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1.70n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alanyl aminopeptidase after 30 to 60 mins by morrison's equation


J Med Chem 57: 8140-51 (2014)


Article DOI: 10.1021/jm501071f
BindingDB Entry DOI: 10.7270/Q2CF9RQF
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078947
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...)
Show SMILES COc1ccc(CSCC(CP(O)(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(N)=O)cc1
Show InChI InChI=1S/C39H43N4O7PS/c1-49-32-18-16-29(17-19-32)25-52-26-31(38(45)42-35(37(40)44)21-30-22-41-34-15-9-8-14-33(30)34)24-51(47,48)36(20-27-10-4-2-5-11-27)43-39(46)50-23-28-12-6-3-7-13-28/h2-19,22,31,35-36,41H,20-21,23-26H2,1H3,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)
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2n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50129684
PNG
(3-[(1-amino-3-phenyl-propyl)-hydroxy-phosphinoyl]-...)
Show SMILES OC(=O)C(Cc1ccccc1)CP(O)(O)C(=N)CCc1ccccc1
Show InChI InChI=1S/C19H24NO4P/c20-18(12-11-15-7-3-1-4-8-15)25(23,24)14-17(19(21)22)13-16-9-5-2-6-10-16/h1-10,17,20,23-25H,11-14H2,(H,21,22)
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2n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alanyl aminopeptidase after 30 to 60 mins by morrison's equation


J Med Chem 57: 8140-51 (2014)


Article DOI: 10.1021/jm501071f
BindingDB Entry DOI: 10.7270/Q2CF9RQF
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50025050
PNG
(CHEMBL3355108)
Show SMILES NCc1cccc(CC(CP(O)(=O)C(N)CCc2ccccc2)C(O)=O)c1
Show InChI InChI=1/C20H27N2O4P/c21-13-17-8-4-7-16(11-17)12-18(20(23)24)14-27(25,26)19(22)10-9-15-5-2-1-3-6-15/h1-8,11,18-19H,9-10,12-14,21-22H2,(H,23,24)(H,25,26)
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2.10n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alanyl aminopeptidase after 30 to 60 mins by morrison's equation


J Med Chem 57: 8140-51 (2014)


Article DOI: 10.1021/jm501071f
BindingDB Entry DOI: 10.7270/Q2CF9RQF
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50025042
PNG
(CHEMBL3355105)
Show SMILES NC(CCc1cccnc1)P(O)(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1/C18H23N2O4P/c19-17(9-8-15-7-4-10-20-12-15)25(23,24)13-16(18(21)22)11-14-5-2-1-3-6-14/h1-7,10,12,16-17H,8-9,11,13,19H2,(H,21,22)(H,23,24)
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2.10n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alanyl aminopeptidase after 30 to 60 mins by morrison's equation


J Med Chem 57: 8140-51 (2014)


Article DOI: 10.1021/jm501071f
BindingDB Entry DOI: 10.7270/Q2CF9RQF
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50025046
PNG
(CHEMBL3355101)
Show SMILES NC(CCc1ccc(cc1)[N+]([O-])=O)P(O)(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1/C19H23N2O6P/c20-18(11-8-14-6-9-17(10-7-14)21(24)25)28(26,27)13-16(19(22)23)12-15-4-2-1-3-5-15/h1-7,9-10,16,18H,8,11-13,20H2,(H,22,23)(H,26,27)
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2.40n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alanyl aminopeptidase after 30 to 60 mins by morrison's equation


J Med Chem 57: 8140-51 (2014)


Article DOI: 10.1021/jm501071f
BindingDB Entry DOI: 10.7270/Q2CF9RQF
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50078930
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[(R)-...)
Show SMILES NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)/t31?,35-,36?/m1/s1
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2.5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50078951
PNG
(CHEMBL87159 | [1-(2-Benzyloxy-acetylamino)-2-pheny...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)COCc1ccccc1
Show InChI InChI=1S/C40H45N4O6P/c41-39(46)36(24-33-25-42-35-22-11-10-21-34(33)35)43-40(47)32(20-12-19-29-13-4-1-5-14-29)28-51(48,49)38(23-30-15-6-2-7-16-30)44-37(45)27-50-26-31-17-8-3-9-18-31/h1-11,13-18,21-22,25,32,36,38,42H,12,19-20,23-24,26-28H2,(H2,41,46)(H,43,47)(H,44,45)(H,48,49)
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2.5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50024594
PNG
((R)-1-Ammonium-3-methyl-butane-1-phosphonic acid a...)
Show SMILES CC(C)C[C@H]([NH3+])P(O)([O-])=O
Show InChI InChI=1S/C5H14NO3P/c1-4(2)3-5(6)10(7,8)9/h4-5H,3,6H2,1-2H3,(H2,7,8,9)/t5-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alanyl aminopeptidase after 30 to 60 mins by morrison's equation


J Med Chem 57: 8140-51 (2014)


Article DOI: 10.1021/jm501071f
BindingDB Entry DOI: 10.7270/Q2CF9RQF
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078947
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...)
Show SMILES COc1ccc(CSCC(CP(O)(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(N)=O)cc1
Show InChI InChI=1S/C39H43N4O7PS/c1-49-32-18-16-29(17-19-32)25-52-26-31(38(45)42-35(37(40)44)21-30-22-41-34-15-9-8-14-33(30)34)24-51(47,48)36(20-27-10-4-2-5-11-27)43-39(46)50-23-28-12-6-3-7-13-28/h2-19,22,31,35-36,41H,20-21,23-26H2,1H3,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)
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3n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-9 (gelatinase-B).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50078943
PNG
((1-Acetylamino-2-phenyl-ethyl)-{2-[1-carbamoyl-2-(...)
Show SMILES CC(=O)NC(Cc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C33H39N4O5P/c1-23(38)36-31(19-25-13-6-3-7-14-25)43(41,42)22-26(16-10-15-24-11-4-2-5-12-24)33(40)37-30(32(34)39)20-27-21-35-29-18-9-8-17-28(27)29/h2-9,11-14,17-18,21,26,30-31,35H,10,15-16,19-20,22H2,1H3,(H2,34,39)(H,36,38)(H,37,40)(H,41,42)
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3.5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078945
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)CNc1cccc(Cl)c1
Show InChI InChI=1S/C39H44ClN6O5P/c40-31-17-10-18-32(23-31)43-25-36(47)45-37(21-28-13-5-2-6-14-28)52(50,51)26-29(16-9-15-27-11-3-1-4-12-27)39(49)46(42)35(38(41)48)22-30-24-44-34-20-8-7-19-33(30)34/h1-8,10-14,17-20,23-24,29,35,37,43-44H,9,15-16,21-22,25-26,42H2,(H2,41,48)(H,45,47)(H,50,51)
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3.80n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50025099
PNG
(CHEMBL3355111)
Show SMILES NCc1cccc(CC(CP(O)(=O)C(N)CCc2ccncc2)C(O)=O)c1
Show InChI InChI=1/C19H26N3O4P/c20-12-16-3-1-2-15(10-16)11-17(19(23)24)13-27(25,26)18(21)5-4-14-6-8-22-9-7-14/h1-3,6-10,17-18H,4-5,11-13,20-21H2,(H,23,24)(H,25,26)
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3.90n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of pig recombinant alanyl aminopeptidase after 30 to 60 mins by morrison's equation


J Med Chem 57: 8140-51 (2014)


Article DOI: 10.1021/jm501071f
BindingDB Entry DOI: 10.7270/Q2CF9RQF
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50078945
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)CNc1cccc(Cl)c1
Show InChI InChI=1S/C39H44ClN6O5P/c40-31-17-10-18-32(23-31)43-25-36(47)45-37(21-28-13-5-2-6-14-28)52(50,51)26-29(16-9-15-27-11-3-1-4-12-27)39(49)46(42)35(38(41)48)22-30-24-44-34-20-8-7-19-33(30)34/h1-8,10-14,17-20,23-24,29,35,37,43-44H,9,15-16,21-22,25-26,42H2,(H2,41,48)(H,45,47)(H,50,51)
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4n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50316049
PNG
(1-amino-3-phenylpropylphosphonic acid | CHEMBL1090...)
Show SMILES NC(CCc1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C9H14NO3P/c10-9(14(11,12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,10H2,(H2,11,12,13)
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4n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of pig recombinant alanyl aminopeptidase after 30 to 60 mins by morrison's equation


J Med Chem 57: 8140-51 (2014)


Article DOI: 10.1021/jm501071f
BindingDB Entry DOI: 10.7270/Q2CF9RQF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50078936
PNG
(CHEMBL87786 | {2-[(2-Amino-1-carbamoyl-ethyl)-(2,4...)
Show SMILES NCC(N(C(=O)C(CCc1ccccc1)C[P+](O)([O-])C(Cc1ccccc1)NC(=O)OCc1ccccc1)c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C36H39N6O10P/c37-22-32(34(38)43)40(30-19-18-29(41(46)47)21-31(30)42(48)49)35(44)28(17-16-25-10-4-1-5-11-25)24-53(50,51)33(20-26-12-6-2-7-13-26)39-36(45)52-23-27-14-8-3-9-15-27/h1-15,18-19,21,28,32-33H,16-17,20,22-24,37H2,(H2,38,43)(H,39,45)(H,50,51)
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4n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-7 Matrilysin


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50025048
PNG
(CHEMBL3355099)
Show SMILES N[C@@H](CCc1ccccc1)P(O)(O)=O |r|
Show InChI InChI=1/C9H14NO3P/c10-9(14(11,12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,10H2,(H2,11,12,13)/t9-/s2
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4.10n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of pig recombinant alanyl aminopeptidase after 30 to 60 mins by morrison's equation


J Med Chem 57: 8140-51 (2014)


Article DOI: 10.1021/jm501071f
BindingDB Entry DOI: 10.7270/Q2CF9RQF
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078932
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C41H43N6O5P/c42-39(48)37(25-32-26-44-35-21-10-8-19-33(32)35)47(43)41(50)31(18-11-16-28-12-3-1-4-13-28)27-53(51,52)38(24-29-14-5-2-6-15-29)46-40(49)36-23-22-30-17-7-9-20-34(30)45-36/h1-10,12-15,17,19-23,26,31,37-38,44H,11,16,18,24-25,27,43H2,(H2,42,48)(H,46,49)(H,51,52)
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4.20n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50025066
PNG
(CHEMBL3355109)
Show SMILES NCc1ccc(CC(CP(O)(=O)C(N)CCc2ccccc2)C(O)=O)cc1
Show InChI InChI=1/C20H27N2O4P/c21-13-17-8-6-16(7-9-17)12-18(20(23)24)14-27(25,26)19(22)11-10-15-4-2-1-3-5-15/h1-9,18-19H,10-14,21-22H2,(H,23,24)(H,25,26)
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4.20n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of pig recombinant alanyl aminopeptidase after 30 to 60 mins by morrison's equation


J Med Chem 57: 8140-51 (2014)


Article DOI: 10.1021/jm501071f
BindingDB Entry DOI: 10.7270/Q2CF9RQF
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50078953
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C40H45N4O6P/c41-38(45)36(25-33-26-42-35-23-13-12-22-34(33)35)43-39(46)32(21-11-10-16-29-14-4-1-5-15-29)28-51(48,49)37(24-30-17-6-2-7-18-30)44-40(47)50-27-31-19-8-3-9-20-31/h1-9,12-15,17-20,22-23,26,32,36-37,42H,10-11,16,21,24-25,27-28H2,(H2,41,45)(H,43,46)(H,44,47)(H,48,49)
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4.30n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50078928
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)CNc1ccccc1
Show InChI InChI=1S/C39H45N6O5P/c40-38(47)35(24-31-25-43-34-22-11-10-21-33(31)34)45(41)39(48)30(18-12-17-28-13-4-1-5-14-28)27-51(49,50)37(23-29-15-6-2-7-16-29)44-36(46)26-42-32-19-8-3-9-20-32/h1-11,13-16,19-22,25,30,35,37,42-43H,12,17-18,23-24,26-27,41H2,(H2,40,47)(H,44,46)(H,49,50)
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4.5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Leucine aminopeptidase (LAP)


(Sus scrofa (Pig))
BDBM50316049
PNG
(1-amino-3-phenylpropylphosphonic acid | CHEMBL1090...)
Show SMILES NC(CCc1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C9H14NO3P/c10-9(14(11,12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,10H2,(H2,11,12,13)
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4.60n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of pig recombinant leucine aminopeptidase after 30 to 60 mins by morrison's equation


J Med Chem 57: 8140-51 (2014)


Article DOI: 10.1021/jm501071f
BindingDB Entry DOI: 10.7270/Q2CF9RQF
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50025047
PNG
(CHEMBL3355100)
Show SMILES Cc1cc(C)cc(CCC(N)P(O)(=O)CC(Cc2ccccc2)C(O)=O)c1
Show InChI InChI=1/C21H28NO4P/c1-15-10-16(2)12-18(11-15)8-9-20(22)27(25,26)14-19(21(23)24)13-17-6-4-3-5-7-17/h3-7,10-12,19-20H,8-9,13-14,22H2,1-2H3,(H,23,24)(H,25,26)
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4.80n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alanyl aminopeptidase after 30 to 60 mins by morrison's equation


J Med Chem 57: 8140-51 (2014)


Article DOI: 10.1021/jm501071f
BindingDB Entry DOI: 10.7270/Q2CF9RQF
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078938
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O
Show InChI InChI=1S/C41H40Cl2N5O7P/c42-30-19-28-20-32(41(52)55-37(28)33(43)22-30)39(50)47-36(18-26-12-5-2-6-13-26)56(53,54)24-27(15-9-14-25-10-3-1-4-11-25)40(51)48(45)35(38(44)49)21-29-23-46-34-17-8-7-16-31(29)34/h1-8,10-13,16-17,19-20,22-23,27,35-36,46H,9,14-15,18,21,24,45H2,(H2,44,49)(H,47,50)(H,53,54)
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5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50078935
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1
Show InChI InChI=1S/C40H41Cl2N6O5P/c41-29-20-32(42)31-22-35(46-34(31)21-29)39(50)47-37(18-26-12-5-2-6-13-26)54(52,53)24-27(15-9-14-25-10-3-1-4-11-25)40(51)48(44)36(38(43)49)19-28-23-45-33-17-8-7-16-30(28)33/h1-8,10-13,16-17,20-23,27,36-37,45-46H,9,14-15,18-19,24,44H2,(H2,43,49)(H,47,50)(H,52,53)
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5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078930
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[(R)-...)
Show SMILES NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)/t31?,35-,36?/m1/s1
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5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078951
PNG
(CHEMBL87159 | [1-(2-Benzyloxy-acetylamino)-2-pheny...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)COCc1ccccc1
Show InChI InChI=1S/C40H45N4O6P/c41-39(46)36(24-33-25-42-35-22-11-10-21-34(33)35)43-40(47)32(20-12-19-29-13-4-1-5-14-29)28-51(48,49)38(23-30-15-6-2-7-16-30)44-37(45)27-50-26-31-17-8-3-9-18-31/h1-11,13-18,21-22,25,32,36,38,42H,12,19-20,23-24,26-28H2,(H2,41,46)(H,43,47)(H,44,45)(H,48,49)
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5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50078932
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C41H43N6O5P/c42-39(48)37(25-32-26-44-35-21-10-8-19-33(32)35)47(43)41(50)31(18-11-16-28-12-3-1-4-13-28)27-53(51,52)38(24-29-14-5-2-6-15-29)46-40(49)36-23-22-30-17-7-9-20-34(30)45-36/h1-10,12-15,17,19-23,26,31,37-38,44H,11,16,18,24-25,27,43H2,(H2,42,48)(H,46,49)(H,51,52)
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5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Leucine aminopeptidase (LAP)


(Sus scrofa (Pig))
BDBM50025048
PNG
(CHEMBL3355099)
Show SMILES N[C@@H](CCc1ccccc1)P(O)(O)=O |r|
Show InChI InChI=1/C9H14NO3P/c10-9(14(11,12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,10H2,(H2,11,12,13)/t9-/s2
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5n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of pig recombinant leucine aminopeptidase after 30 to 60 mins by morrison's equation


J Med Chem 57: 8140-51 (2014)


Article DOI: 10.1021/jm501071f
BindingDB Entry DOI: 10.7270/Q2CF9RQF
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50078946
PNG
(CHEMBL313360 | [1-(2-Benzyloxycarbonylamino-propio...)
Show SMILES CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)N(N)C(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C42H49N6O7P/c1-29(46-42(52)55-27-32-18-9-4-10-19-32)40(50)47-38(24-31-16-7-3-8-17-31)56(53,54)28-33(21-13-20-30-14-5-2-6-15-30)41(51)48(44)37(39(43)49)25-34-26-45-36-23-12-11-22-35(34)36/h2-12,14-19,22-23,26,29,33,37-38,45H,13,20-21,24-25,27-28,44H2,1H3,(H2,43,49)(H,46,52)(H,47,50)(H,53,54)
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5.5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078937
PNG
((1-Benzyloxycarbonylamino-ethyl)-{3-benzylsulfanyl...)
Show SMILES CC(NC(=O)OCc1ccccc1)P(O)(=O)CC(CSCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C32H37N4O6PS/c1-22(35-32(39)42-18-23-10-4-2-5-11-23)43(40,41)19-26(21-44-20-24-12-6-3-7-13-24)31(38)36-29(30(33)37)16-25-17-34-28-15-9-8-14-27(25)28/h2-15,17,22,26,29,34H,16,18-21H2,1H3,(H2,33,37)(H,35,39)(H,36,38)(H,40,41)
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6n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-9 (gelatinase-B).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078945
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)CNc1cccc(Cl)c1
Show InChI InChI=1S/C39H44ClN6O5P/c40-31-17-10-18-32(23-31)43-25-36(47)45-37(21-28-13-5-2-6-14-28)52(50,51)26-29(16-9-15-27-11-3-1-4-12-27)39(49)46(42)35(38(41)48)22-30-24-44-34-20-8-7-19-33(30)34/h1-8,10-14,17-20,23-24,29,35,37,43-44H,9,15-16,21-22,25-26,42H2,(H2,41,48)(H,45,47)(H,50,51)
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6n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-9 (gelatinase-B).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078941
PNG
(CHEMBL88188 | [1-(2-Benzyloxycarbonylamino-4-methy...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)N(N)C(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C45H55N6O7P/c1-31(2)25-39(49-45(55)58-29-34-19-10-5-11-20-34)43(53)50-41(26-33-17-8-4-9-18-33)59(56,57)30-35(22-14-21-32-15-6-3-7-16-32)44(54)51(47)40(42(46)52)27-36-28-48-38-24-13-12-23-37(36)38/h3-13,15-20,23-24,28,31,35,39-41,48H,14,21-22,25-27,29-30,47H2,1-2H3,(H2,46,52)(H,49,55)(H,50,53)(H,56,57)
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6n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078947
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...)
Show SMILES COc1ccc(CSCC(CP(O)(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(N)=O)cc1
Show InChI InChI=1S/C39H43N4O7PS/c1-49-32-18-16-29(17-19-32)25-52-26-31(38(45)42-35(37(40)44)21-30-22-41-34-15-9-8-14-33(30)34)24-51(47,48)36(20-27-10-4-2-5-11-27)43-39(46)50-23-28-12-6-3-7-13-28/h2-19,22,31,35-36,41H,20-21,23-26H2,1H3,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)
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6n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-2 (gelatinase-A).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
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