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6 similar compounds to monomer 50226600

Compile data set for download or QSAR
Wt: 226.2
BDBM50137003
Wt: 212.2
BDBM50137034
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Wt: 212.2
BDBM50169199
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Wt: 212.2
BDBM50226601
Wt: 198.2
BDBM50226612
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Wt: 226.2
BDBM50348857
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50137003,50137034,50169199,50226601,50226612,50348857   
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
Carboxypeptidase B2 isoform A


(Homo sapiens (Human))
BDBM50226601
PNG
((2S)-2-[(2-aminoethyl)amino]-3-(1-methyl-1H-imidaz...)
Show SMILES Cn1cnc(C[C@H](NCCN)C(O)=O)c1
Show InChI InChI=1S/C9H16N4O2/c1-13-5-7(12-6-13)4-8(9(14)15)11-3-2-10/h5-6,8,11H,2-4,10H2,1H3,(H,14,15)/t8-/m0/s1
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235n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human TAFIa


J Med Chem 50: 6095-103 (2007)


Article DOI: 10.1021/jm0702433
BindingDB Entry DOI: 10.7270/Q2T153CG
More data for this
Ligand-Target Pair
Carboxypeptidase B2 isoform A


(Homo sapiens (Human))
BDBM50226612
PNG
((R)-2-(2-aminoethylamino)-3-(1H-imidazol-4-yl)prop...)
Show SMILES NCCN[C@H](Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C8H14N4O2/c9-1-2-11-7(8(13)14)3-6-4-10-5-12-6/h4-5,7,11H,1-3,9H2,(H,10,12)(H,13,14)/t7-/m1/s1
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1.70E+4n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human TAFIa


J Med Chem 50: 6095-103 (2007)


Article DOI: 10.1021/jm0702433
BindingDB Entry DOI: 10.7270/Q2T153CG
More data for this
Ligand-Target Pair
Oligopeptide transporter, kidney isoform


(Rattus norvegicus)
BDBM50169199
PNG
((S)-2-(2-Amino-acetylamino)-3-(3H-imidazol-4-yl)-p...)
Show SMILES NCC(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C8H12N4O3/c9-2-7(13)12-6(8(14)15)1-5-3-10-4-11-5/h3-4,6H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t6-/m0/s1
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3.90E+4n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT2-expressing LLC-PK1 cells


Pflugers Arch 440: 679-84 (2000)


BindingDB Entry DOI: 10.7270/Q2CR5X6C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 2


(Homo sapiens (Human))
BDBM50169199
PNG
((S)-2-(2-Amino-acetylamino)-3-(3H-imidazol-4-yl)-p...)
Show SMILES NCC(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C8H12N4O3/c9-2-7(13)12-6(8(14)15)1-5-3-10-4-11-5/h3-4,6H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t6-/m0/s1
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3.90E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human PepT2 in SKTP cells


Bioorg Med Chem 19: 4544-51 (2011)


Article DOI: 10.1016/j.bmc.2011.06.027
BindingDB Entry DOI: 10.7270/Q2MP549P
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50137003
PNG
(2-[(2-ammoniopropanoyl)amino]-3-(1H-imidazol-4-yl)...)
Show SMILES CC([NH3+])C(=O)NC(Cc1cnc[nH]1)C([O-])=O
Show InChI InChI=1S/C9H14N4O3/c1-5(10)8(14)13-7(9(15)16)2-6-3-11-4-12-6/h3-5,7H,2,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)
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3.30E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for human intestinal peptide carrier


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50137034
PNG
(2-[(ammonioacetyl)amino]-3-(1H-imidazol-4-yl)propa...)
Show SMILES [NH3+]CC(=O)NC(Cc1cnc[nH]1)C([O-])=O
Show InChI InChI=1S/C8H12N4O3/c9-2-7(13)12-6(8(14)15)1-5-3-10-4-11-5/h3-4,6H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)
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1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for human intestinal peptide carrier


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50169199
PNG
((S)-2-(2-Amino-acetylamino)-3-(3H-imidazol-4-yl)-p...)
Show SMILES NCC(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C8H12N4O3/c9-2-7(13)12-6(8(14)15)1-5-3-10-4-11-5/h3-4,6H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t6-/m0/s1
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1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Rattus norvegicus)
BDBM50169199
PNG
((S)-2-(2-Amino-acetylamino)-3-(3H-imidazol-4-yl)-p...)
Show SMILES NCC(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C8H12N4O3/c9-2-7(13)12-6(8(14)15)1-5-3-10-4-11-5/h3-4,6H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t6-/m0/s1
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1.40E+6n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT1-expressing LLC-PK1 cells


Pflugers Arch 440: 679-84 (2000)


BindingDB Entry DOI: 10.7270/Q2CR5X6C
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50169199
PNG
((S)-2-(2-Amino-acetylamino)-3-(3H-imidazol-4-yl)-p...)
Show SMILES NCC(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C8H12N4O3/c9-2-7(13)12-6(8(14)15)1-5-3-10-4-11-5/h3-4,6H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t6-/m0/s1
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4.10E+6n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50169199
PNG
((S)-2-(2-Amino-acetylamino)-3-(3H-imidazol-4-yl)-p...)
Show SMILES NCC(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C8H12N4O3/c9-2-7(13)12-6(8(14)15)1-5-3-10-4-11-5/h3-4,6H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t6-/m0/s1
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n/an/a 3.09E+6n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Biological activity was measured against Angiotensin I converting enzyme


J Med Chem 38: 2705-13 (1995)


Article DOI: 10.1021/jm00014a022
BindingDB Entry DOI: 10.7270/Q2GX4CSN
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50169199
PNG
((S)-2-(2-Amino-acetylamino)-3-(3H-imidazol-4-yl)-p...)
Show SMILES NCC(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C8H12N4O3/c9-2-7(13)12-6(8(14)15)1-5-3-10-4-11-5/h3-4,6H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t6-/m0/s1
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n/an/an/an/a 4.00E+5n/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Activation of human PEPT1 expressed in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
BindingDB Entry DOI: 10.7270/Q2P55P9R
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50348857
PNG
(CHEMBL1221620)
Show SMILES C[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C9H14N4O3/c1-5(10)8(14)13-7(9(15)16)2-6-3-11-4-12-6/h3-5,7H,2,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,7-/m0/s1
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n/an/a 9.00E+6n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE preincubated for 5 mins by spectrophotometric assay


Eur J Med Chem 46: 3428-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.007
BindingDB Entry DOI: 10.7270/Q2DR2VV7
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50169199
PNG
((S)-2-(2-Amino-acetylamino)-3-(3H-imidazol-4-yl)-p...)
Show SMILES NCC(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C8H12N4O3/c9-2-7(13)12-6(8(14)15)1-5-3-10-4-11-5/h3-4,6H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t6-/m0/s1
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n/an/a 8.10E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
BindingDB Entry DOI: 10.7270/Q2P55P9R
More data for this
Ligand-Target Pair