BDBM18073 (2S)-2-amino-3-phenylpropanoic acid::CHEMBL301523::L-[2,3,4,5,6-3H]phenylalanine::L-phenylalanine::Phenylalanine
SMILES: N[C@@H](Cc1ccccc1)C(O)=O
InChI Key: InChIKey=COLNVLDHVKWLRT-QMMMGPOBSA-N
PDB links: 42 PDB IDs match this monomer. 106 PDB IDs contain this monomer as substructures. 106 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Voltage-gated calcium channel alpha2/delta subunit 1 (Mus musculus) | BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain | Bioorg Med Chem Lett 16: 1138-41 (2006) Article DOI: 10.1016/j.bmcl.2005.11.108 BindingDB Entry DOI: 10.7270/Q2XS5TXV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
L-type amino acid transporter 1 (Rattus norvegicus) | BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 5.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky Curated by ChEMBL | Assay Description Inhibition of LAT1-mediated L-[14C]-leucine uptake in Sprague-Dawley rat brain by duel-labeled liquid scintillation counting | Bioorg Med Chem Lett 20: 3688-91 (2010) Article DOI: 10.1016/j.bmcl.2010.04.086 BindingDB Entry DOI: 10.7270/Q2HM58MR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Intestinal alkaline phosphatase (IAP) (Bos taurus (Cattle)) | BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 8.02E+4 | n/a | n/a | n/a | n/a | 9.8 | 37 |
COMSATS Institute of Information Technology | Assay Description Alkaline phosphatase assay was optimized and performed in the same way as previously reported method with slight modifications [Sergienko et al., Nat... | Bioorg Chem 70: 229-236 (2017) Article DOI: 10.1016/j.bioorg.2017.01.003 BindingDB Entry DOI: 10.7270/Q2K07334 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Intestinal alkaline phosphatase (IAP) (Bos taurus (Cattle)) | BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 8.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Forman Christian College (A Chartered University) Curated by ChEMBL | Assay Description Inhibition of calf intestinal alkaline phosphatase using CDP-star chemiluminescent substrate assessed as change in luminescence by spectrophotometric... | Bioorg Med Chem 23: 2435-44 (2015) Article DOI: 10.1016/j.bmc.2015.03.054 BindingDB Entry DOI: 10.7270/Q2WW7KC8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phospholipase A-2-activating protein (Homo sapiens (Human)) | BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute Curated by ChEMBL | Assay Description Inhibition of PLAP by analogous luminescence assay | Bioorg Med Chem 18: 573-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.012 BindingDB Entry DOI: 10.7270/Q24T6JHR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human)) | BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute Curated by ChEMBL | Assay Description Inhibition of TNAP by analogous luminescence assay | Bioorg Med Chem 18: 573-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.012 BindingDB Entry DOI: 10.7270/Q24T6JHR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Intestinal alkaline phosphatase (Homo sapiens (Human)) | BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute Curated by ChEMBL | Assay Description Inhibition of IAP by analogous luminescence assay | Bioorg Med Chem 18: 573-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.012 BindingDB Entry DOI: 10.7270/Q24T6JHR | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Intestinal alkaline phosphatase (Bos taurus (Cattle)) | BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 8.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Rostock Curated by ChEMBL | Assay Description Inhibition of calf intestinal alkaline phosphatase using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured a... | Eur J Med Chem 126: 408-420 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BKR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human)) | BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Karachi Curated by ChEMBL | Assay Description Inhibition of human TNAP using CDP-star as substrate pretreated for 10 mins followed by substrate addition measured after 10 mins by spectrophotometr... | Eur J Med Chem 131: 29-47 (2017) Article DOI: 10.1016/j.ejmech.2017.03.003 BindingDB Entry DOI: 10.7270/Q2MS3W2X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Intestinal alkaline phosphatase (Homo sapiens (Human)) | BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 8.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Rostock Curated by ChEMBL | Assay Description Inhibition of human IAP expressed in COS7 cells preincubated for 5 to 7 mins followed by CDP-star substrate addition measured after 15 to 20 mins by ... | Eur J Med Chem 144: 116-127 (2018) Article DOI: 10.1016/j.ejmech.2017.11.068 BindingDB Entry DOI: 10.7270/Q2W66PDP | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Large neutral amino acids transporter small subunit 1 (Homo sapiens (Human)) | BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 6.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 ... | J Med Chem 61: 7358-7373 (2018) Article DOI: 10.1021/acs.jmedchem.8b01007 BindingDB Entry DOI: 10.7270/Q2XK8J66 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human)) | BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 8.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Quaid-I-Azam University Curated by ChEMBL | Assay Description Inhibition of human IAP expressed in COS7 cells using CDP-star as substrate preincubated for 5 to 10 mins followed by substrate addition measured aft... | Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human)) | BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland Curated by ChEMBL | Assay Description Inhibition of human TNAP expressed in African green monkey COS7 cell membranes using CDP-star as substrate pretreated for 5 to 10 mins followed by su... | Eur J Med Chem 159: 282-291 (2018) Article DOI: 10.1016/j.ejmech.2018.09.063 BindingDB Entry DOI: 10.7270/Q23N263P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Intestinal alkaline phosphatase (Homo sapiens (Human)) | BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland Curated by ChEMBL | Assay Description Inhibition of human IAP expressed in African green monkey COS7 cell membranes using CDP-star as substrate pretreated for 5 to 10 mins followed by sub... | Eur J Med Chem 159: 282-291 (2018) Article DOI: 10.1016/j.ejmech.2018.09.063 BindingDB Entry DOI: 10.7270/Q23N263P | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Large neutral amino acids transporter small subunit 1 (Homo sapiens (Human)) | BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 6.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska at Kearney Curated by ChEMBL | Assay Description Cis-inhibition of human LAT1 expressed in TREx HEK293 cells assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 degC follo... | Bioorg Med Chem Lett 29: 2254-2258 (2019) Article DOI: 10.1016/j.bmcl.2019.06.033 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Xanthine dehydrogenase (Homo sapiens (Human)) | BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
CHINA PHARMACEUTICAL UNIVERSITY US Patent | Assay Description 11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2HPO4 0.6946 g, EDTA 1.862 m... | US Patent US11021454 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Intestinal alkaline phosphatase (IAP) (Bos taurus (Cattle)) | BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 8.02E+4 | n/a | n/a | n/a | n/a | 9.8 | 37 |
Quaid-I-Azam University | Assay Description The assay conditions were optimized with some changes in formerly reported spectrophotometric method. The composition of assay buffer of pH 9.8 was a... | Chem Biol Drug Des 89: 365-370 (2017) Article DOI: 10.1111/cbdd.12861 BindingDB Entry DOI: 10.7270/Q2F47N10 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tissue non-specific alkaline phosphatase (TNAP) (Bos taurus (Cattle)) | BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 8.02E+4 | n/a | n/a | n/a | n/a | 9.8 | 37 |
University of Karachi | Assay Description Alkaline phosphatase (b-TNAP, c-IAP purchased from Calzyme Laboratories, Inc. USA) inhibition assay of different cyclic sulfonamides was performed us... | Bioorg Chem 71: 10-18 (2017) Article DOI: 10.1016/j.bioorg.2017.01.008 BindingDB Entry DOI: 10.7270/Q26Q1W36 | |||||||||||
More data for this Ligand-Target Pair |
Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kcal/mole | -TΔS° kcal/mole | ΔH° kcal/mole | log K | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|
BDBM11 | BDBM18073 | CHEBI KEGG MMDB PC cid PC sid PDB | CHEBI DrugBank KEGG MMDB PC cid PC sid PDB | -0.717 | 2.14 | -2.87 | 0.477 | 5.01 | 25 | |
NIST | J Phys Chem 98: 10282-10288 (1994) | |||||||||
BDBM4 | BDBM18073 | CHEBI MMDB PC cid PC sid PDB | CHEBI DrugBank KEGG MMDB PC cid PC sid PDB | -1.24 | 1.64 | -2.87 | 0.903 | 5.01 | 25 | |
NIST | J Phys Chem 98: 10282-10288 (1994) |