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3 similar compounds to monomer 50078135

Compile data set for download or QSAR
Wt: 508.5
BDBM50078127
Wt: 460.5
BDBM50078131
Wt: 418.4
BDBM50393210

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50078127,50078131,50393210   
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
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
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
Aminopeptidase N


(Homo sapiens (Human))
BDBM50393210
PNG
(CHEMBL1235787)
Show SMILES CC(=N)P(O)(O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
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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2.20n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of APN


J Med Chem 54: 5955-80 (2011)


Article DOI: 10.1021/jm200587f
BindingDB Entry DOI: 10.7270/Q2PV6MGF
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50078127
PNG
(2-{3-[(1-Amino-3-phenyl-propyl)-hydroxy-phosphinoy...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)CP(O)(O)C(=N)CCc1ccccc1
Show InChI InChI=1S/C28H33N2O5P/c29-26(17-16-21-10-4-1-5-11-21)36(34,35)20-24(18-22-12-6-2-7-13-22)27(31)30-25(28(32)33)19-23-14-8-3-9-15-23/h1-15,24-25,29,34-36H,16-20H2,(H,30,31)(H,32,33)
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2.30n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity was measured on pig kidney Aminopeptidase N (activity for A+B stereoisomer)


Bioorg Med Chem Lett 9: 1511-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00236-x
BindingDB Entry DOI: 10.7270/Q2H132JR
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50078131
PNG
(2-{3-[(1-Amino-3-methyl-butyl)-hydroxy-phosphinoyl...)
Show SMILES CC(C)CC(=N)P(O)(O)CC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H33N2O5P/c1-17(2)13-22(25)32(30,31)16-20(14-18-9-5-3-6-10-18)23(27)26-21(24(28)29)15-19-11-7-4-8-12-19/h3-12,17,20-21,25,30-32H,13-16H2,1-2H3,(H,26,27)(H,28,29)
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3.20n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity was measured on pig kidney Aminopeptidase N (activity for A+B stereoisomer)


Bioorg Med Chem Lett 9: 1511-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00236-x
BindingDB Entry DOI: 10.7270/Q2H132JR
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50078131
PNG
(2-{3-[(1-Amino-3-methyl-butyl)-hydroxy-phosphinoyl...)
Show SMILES CC(C)CC(=N)P(O)(O)CC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H33N2O5P/c1-17(2)13-22(25)32(30,31)16-20(14-18-9-5-3-6-10-18)23(27)26-21(24(28)29)15-19-11-7-4-8-12-19/h3-12,17,20-21,25,30-32H,13-16H2,1-2H3,(H,26,27)(H,28,29)
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90n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity was measured on pig kidney Aminopeptidase N (activity for C+D stereoisomer)


Bioorg Med Chem Lett 9: 1511-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00236-x
BindingDB Entry DOI: 10.7270/Q2H132JR
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50078127
PNG
(2-{3-[(1-Amino-3-phenyl-propyl)-hydroxy-phosphinoy...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)CP(O)(O)C(=N)CCc1ccccc1
Show InChI InChI=1S/C28H33N2O5P/c29-26(17-16-21-10-4-1-5-11-21)36(34,35)20-24(18-22-12-6-2-7-13-22)27(31)30-25(28(32)33)19-23-14-8-3-9-15-23/h1-15,24-25,29,34-36H,16-20H2,(H,30,31)(H,32,33)
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360n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity was measured on pig kidney Aminopeptidase N (activity for C+D stereoisomer)


Bioorg Med Chem Lett 9: 1511-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00236-x
BindingDB Entry DOI: 10.7270/Q2H132JR
More data for this
Ligand-Target Pair