BDBM50252051 (2S,4R)-2-amino-4-(3-(methylamino)-3-oxopropyl)pentanedioic acid::(2S,4R)-4-(3-Methylamino-3-oxopropyl)glutamic acid::CHEMBL500042

SMILES: CNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O

InChI Key: InChIKey=NIJAFEMYFNBSBE-RITPCOANSA-N

Data: 8 KI  3 IC50  8 EC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50252051   

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
Glutamate receptor ionotropic, kainate 1 (RAT)	BDBM50252051 ((2S,4R)-2-amino-4-(3-(methylamino)-3-oxopropyl)pen...) Show SMILES CNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C9H16N2O5/c1-11-7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	3.81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite Blaise Pascal Curated by ChEMBL					Assay Description Displacement of [3H]SYM2081 from rat recombinant iGluR5				J Med Chem 51: 4093-103 (2008) Article DOI: 10.1021/jm800092x BindingDB Entry DOI: 10.7270/Q20V8DP6
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, kainate (Rattus norvegicus)	BDBM50252051 ((2S,4R)-2-amino-4-(3-(methylamino)-3-oxopropyl)pen...) Show SMILES CNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C9H16N2O5/c1-11-7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	57.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite Blaise Pascal Curated by ChEMBL					Assay Description Displacement of [3H]SYM2081 from rat recombinant iGluR7				J Med Chem 51: 4093-103 (2008) Article DOI: 10.1021/jm800092x BindingDB Entry DOI: 10.7270/Q20V8DP6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ionotropic glutamate receptor kainate 2/5 (Rattus norvegicus)	BDBM50252051 ((2S,4R)-2-amino-4-(3-(methylamino)-3-oxopropyl)pen...) Show SMILES CNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C9H16N2O5/c1-11-7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite Blaise Pascal Curated by ChEMBL					Assay Description Displacement of [3H]SYM2081 from rat recombinant iGluR6				J Med Chem 51: 4093-103 (2008) Article DOI: 10.1021/jm800092x BindingDB Entry DOI: 10.7270/Q20V8DP6
					More data for this Ligand-Target Pair				3D Structure (docked)
Excitatory amino acid transporter 3 (Homo sapiens (Human))	BDBM50252051 ((2S,4R)-2-amino-4-(3-(methylamino)-3-oxopropyl)pen...) Show SMILES CNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C9H16N2O5/c1-11-7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite Blaise Pascal Curated by ChEMBL					Assay Description Inhibition of [3H]D-Asp uptake at human EAAT3 in HEK293 cells				J Med Chem 51: 4085-92 (2008) Checked by Author Article DOI: 10.1021/jm800091e BindingDB Entry DOI: 10.7270/Q24M95FC
					More data for this Ligand-Target Pair
Excitatory amino acid transporter 2 (Homo sapiens (Human))	BDBM50252051 ((2S,4R)-2-amino-4-(3-(methylamino)-3-oxopropyl)pen...) Show SMILES CNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C9H16N2O5/c1-11-7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	6.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite Blaise Pascal Curated by ChEMBL					Assay Description Inhibition of [3H]D-Asp uptake at human EAAT2 in HEK293 cells				J Med Chem 51: 4085-92 (2008) Checked by Author Article DOI: 10.1021/jm800091e BindingDB Entry DOI: 10.7270/Q24M95FC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50252051 ((2S,4R)-2-amino-4-(3-(methylamino)-3-oxopropyl)pen...) Show SMILES CNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C9H16N2O5/c1-11-7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite Blaise Pascal Curated by ChEMBL					Assay Description Displacement of [3H]LY43915 from rat mGluR2 expressed in CHO cells by SPA				J Med Chem 51: 4093-103 (2008) Article DOI: 10.1021/jm800092x BindingDB Entry DOI: 10.7270/Q20V8DP6
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Rattus norvegicus (Rat))	BDBM50252051 ((2S,4R)-2-amino-4-(3-(methylamino)-3-oxopropyl)pen...) Show SMILES CNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C9H16N2O5/c1-11-7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite Blaise Pascal Curated by ChEMBL					Assay Description Displacement of [3H]LY43915 from rat mGluR3 expressed in CHO cells by SPA				J Med Chem 51: 4093-103 (2008) Article DOI: 10.1021/jm800092x BindingDB Entry DOI: 10.7270/Q20V8DP6
					More data for this Ligand-Target Pair
Excitatory amino acid transporter 1 (Homo sapiens (Human))	BDBM50252051 ((2S,4R)-2-amino-4-(3-(methylamino)-3-oxopropyl)pen...) Show SMILES CNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C9H16N2O5/c1-11-7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	>3.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite Blaise Pascal Curated by ChEMBL					Assay Description Inhibition of [3H]D-Asp uptake at EAAT1 in HEK293 cells				J Med Chem 51: 4085-92 (2008) Checked by Author Article DOI: 10.1021/jm800091e BindingDB Entry DOI: 10.7270/Q24M95FC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50252051 ((2S,4R)-2-amino-4-(3-(methylamino)-3-oxopropyl)pen...) Show SMILES CNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C9H16N2O5/c1-11-7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Universite Blaise Pascal Curated by ChEMBL					Assay Description Activity at rat mGluR2 expressed in CHO cells assessed as calcium mobilization by FLIPR				J Med Chem 51: 4093-103 (2008) Article DOI: 10.1021/jm800092x BindingDB Entry DOI: 10.7270/Q20V8DP6
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4) (Homo sapiens (Human))	BDBM50252051 ((2S,4R)-2-amino-4-(3-(methylamino)-3-oxopropyl)pen...) Show SMILES CNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C9H16N2O5/c1-11-7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Universite Blaise Pascal Curated by ChEMBL					Assay Description Activity at mGluR4 assessed as calcium mobilization by FLIPR				J Med Chem 51: 4093-103 (2008) Article DOI: 10.1021/jm800092x BindingDB Entry DOI: 10.7270/Q20V8DP6
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50252051 ((2S,4R)-2-amino-4-(3-(methylamino)-3-oxopropyl)pen...) Show SMILES CNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C9H16N2O5/c1-11-7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Universite Blaise Pascal Curated by ChEMBL					Assay Description Activity at rat mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR				J Med Chem 51: 4093-103 (2008) Article DOI: 10.1021/jm800092x BindingDB Entry DOI: 10.7270/Q20V8DP6
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (RAT)	BDBM50252051 ((2S,4R)-2-amino-4-(3-(methylamino)-3-oxopropyl)pen...) Show SMILES CNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C9H16N2O5/c1-11-7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Universite Blaise Pascal Curated by ChEMBL					Assay Description Activity at rat mGluR1 expressed in HEK293 cells assessed as calcium mobilization by FLIPR				J Med Chem 51: 4093-103 (2008) Article DOI: 10.1021/jm800092x BindingDB Entry DOI: 10.7270/Q20V8DP6
					More data for this Ligand-Target Pair
Excitatory amino acid transporter 2 (Homo sapiens (Human))	BDBM50252051 ((2S,4R)-2-amino-4-(3-(methylamino)-3-oxopropyl)pen...) Show SMILES CNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C9H16N2O5/c1-11-7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universite Blaise Pascal Curated by ChEMBL					Assay Description Inhibition of glutamate-induced depolarization in human human EAAT2 expressed in HEK293 cells by FMP assay				J Med Chem 51: 4085-92 (2008) Checked by Author Article DOI: 10.1021/jm800091e BindingDB Entry DOI: 10.7270/Q24M95FC
					More data for this Ligand-Target Pair
Excitatory amino acid transporter 1 (Homo sapiens (Human))	BDBM50252051 ((2S,4R)-2-amino-4-(3-(methylamino)-3-oxopropyl)pen...) Show SMILES CNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C9H16N2O5/c1-11-7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universite Blaise Pascal Curated by ChEMBL					Assay Description Inhibition of glutamate-induced depolarization in human EAAT1 expressed in HEK293 cells by FMP assay				J Med Chem 51: 4085-92 (2008) Checked by Author Article DOI: 10.1021/jm800091e BindingDB Entry DOI: 10.7270/Q24M95FC
					More data for this Ligand-Target Pair
Excitatory amino acid transporter 3 (Homo sapiens (Human))	BDBM50252051 ((2S,4R)-2-amino-4-(3-(methylamino)-3-oxopropyl)pen...) Show SMILES CNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C9H16N2O5/c1-11-7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universite Blaise Pascal Curated by ChEMBL					Assay Description Inhibition of glutamate-induced depolarization in human human EAAT3 expressed in HEK293 cells by FMP assay				J Med Chem 51: 4085-92 (2008) Checked by Author Article DOI: 10.1021/jm800091e BindingDB Entry DOI: 10.7270/Q24M95FC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50252051 ((2S,4R)-2-amino-4-(3-(methylamino)-3-oxopropyl)pen...) Show SMILES CNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C9H16N2O5/c1-11-7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at rat mGlu2 receptor expressed in HEK293 cells by [35S]GTP-gamma binding assay				J Med Chem 59: 914-24 (2016) BindingDB Entry DOI: 10.7270/Q2000408
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50252051 ((2S,4R)-2-amino-4-(3-(methylamino)-3-oxopropyl)pen...) Show SMILES CNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C9H16N2O5/c1-11-7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at rat mGlu5 receptor expressed in HEK293 cells by intracellular Ca2+ mobilization assay				J Med Chem 59: 914-24 (2016) BindingDB Entry DOI: 10.7270/Q2000408
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4) (Rattus norvegicus (Rat))	BDBM50252051 ((2S,4R)-2-amino-4-(3-(methylamino)-3-oxopropyl)pen...) Show SMILES CNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C9H16N2O5/c1-11-7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at rat mGlu4 receptor expressed in HEK293 cells assessed as inhibition of forskolin stimulated cAMP production				J Med Chem 59: 914-24 (2016) BindingDB Entry DOI: 10.7270/Q2000408
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (RAT)	BDBM50252051 ((2S,4R)-2-amino-4-(3-(methylamino)-3-oxopropyl)pen...) Show SMILES CNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C9H16N2O5/c1-11-7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at rat mGlu1 receptor expressed in HEK293 cells by intracellular Ca2+ mobilization assay				J Med Chem 59: 914-24 (2016) BindingDB Entry DOI: 10.7270/Q2000408
					More data for this Ligand-Target Pair