BindingDB PrimarySearch

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

Data: 2 KI 16 IC50 2 ITC

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.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 18073
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Voltage-gated calcium channel alpha2/delta subunit 1 (Mus musculus)	BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid \| CHEMBL301523...) Show SMILES N[C@@H](Cc1ccccc1)C(O)=O Show InChI	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
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
L-type amino acid transporter 1 (Rattus norvegicus)	BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid \| CHEMBL301523...) Show SMILES N[C@@H](Cc1ccccc1)C(O)=O Show InChI	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
University of Kentucky Curated by ChEMBL					More data for this Ligand-Target Pair
Intestinal alkaline phosphatase (IAP) (Bos taurus (Cattle))	BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid \| CHEMBL301523...) Show SMILES N[C@@H](Cc1ccccc1)C(O)=O Show InChI	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
COMSATS Institute of Information Technology					More data for this Ligand-Target Pair
Intestinal alkaline phosphatase (IAP) (Bos taurus (Cattle))	BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid \| CHEMBL301523...) Show SMILES N[C@@H](Cc1ccccc1)C(O)=O Show InChI	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...) Show SMILES N[C@@H](Cc1ccccc1)C(O)=O Show InChI	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
Human BioMolecular Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid \| CHEMBL301523...) Show SMILES N[C@@H](Cc1ccccc1)C(O)=O Show InChI	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
Human BioMolecular Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Intestinal alkaline phosphatase (Homo sapiens (Human))	BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid \| CHEMBL301523...) Show SMILES N[C@@H](Cc1ccccc1)C(O)=O Show InChI	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
Human BioMolecular Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Intestinal alkaline phosphatase (Bos taurus (Cattle))	BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid \| CHEMBL301523...) Show SMILES N[C@@H](Cc1ccccc1)C(O)=O Show InChI	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
Universit£t Rostock Curated by ChEMBL					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid \| CHEMBL301523...) Show SMILES N[C@@H](Cc1ccccc1)C(O)=O Show InChI	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
University of Karachi Curated by ChEMBL					More data for this Ligand-Target Pair
Intestinal alkaline phosphatase (Homo sapiens (Human))	BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid \| CHEMBL301523...) Show SMILES N[C@@H](Cc1ccccc1)C(O)=O Show InChI	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
Universit£t Rostock Curated by ChEMBL					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...) Show SMILES N[C@@H](Cc1ccccc1)C(O)=O Show InChI	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
University of California Curated by ChEMBL					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...) Show SMILES N[C@@H](Cc1ccccc1)C(O)=O Show InChI	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
Quaid-I-Azam University Curated by ChEMBL					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid \| CHEMBL301523...) Show SMILES N[C@@H](Cc1ccccc1)C(O)=O Show InChI	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
University of Auckland Curated by ChEMBL					More data for this Ligand-Target Pair
Intestinal alkaline phosphatase (Homo sapiens (Human))	BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid \| CHEMBL301523...) Show SMILES N[C@@H](Cc1ccccc1)C(O)=O Show InChI	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
University of Auckland Curated by ChEMBL					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...) Show SMILES N[C@@H](Cc1ccccc1)C(O)=O Show InChI	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
University of Nebraska at Kearney Curated by ChEMBL					More data for this Ligand-Target Pair
Xanthine dehydrogenase (Homo sapiens (Human))	BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid \| CHEMBL301523...) Show SMILES N[C@@H](Cc1ccccc1)C(O)=O Show InChI	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)
CHINA PHARMACEUTICAL UNIVERSITY US Patent					More data for this Ligand-Target Pair
Intestinal alkaline phosphatase (IAP) (Bos taurus (Cattle))	BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid \| CHEMBL301523...) Show SMILES N[C@@H](Cc1ccccc1)C(O)=O Show InChI	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
Quaid-I-Azam University					More data for this Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP) (Bos taurus (Cattle))	BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid \| CHEMBL301523...) Show SMILES N[C@@H](Cc1ccccc1)C(O)=O Show InChI	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
University of Karachi					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 18073
Cell (A)	Syringe (B)	Cell Links	Syringe 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	BDBM18073	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB	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	BDBM18073	CHEBI MMDB PC cid PC sid PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB	J Phys Chem 98: 10282-10288 (1994)