BDBM50013876 CHEMBL291278::Methyl aspartic acid::N-Methyl aspartic acid::N-Methyl-D-aspartate::N-Methyl-D-aspartic acid::N-Methylaspartate::NMDA::US9182402, 16

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

InChI Key: InChIKey=HOKKHZGPKSLGJE-GSVOUGTGSA-N

Data: 3 IC50  4 EC50

PDB links: 3 PDB IDs match 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 7 hits for monomerid = 50013876   

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
Hepsin (Homo sapiens (Human))	BDBM50013876 (CHEMBL291278 | Methyl aspartic acid | N-Methyl asp...) Show SMILES CN[C@H](CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center US Patent					Assay Description To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...				US Patent US9182402 (2015) BindingDB Entry DOI: 10.7270/Q23F4NF7
					More data for this Ligand-Target Pair
Trypsin (Sus scrofa)	BDBM50013876 (CHEMBL291278 | Methyl aspartic acid | N-Methyl asp...) Show SMILES CN[C@H](CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	2.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center US Patent					Assay Description To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...				US Patent US9182402 (2015) BindingDB Entry DOI: 10.7270/Q23F4NF7
					More data for this Ligand-Target Pair
Thrombin (Bos taurus (Bovine))	BDBM50013876 (CHEMBL291278 | Methyl aspartic acid | N-Methyl asp...) Show SMILES CN[C@H](CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center US Patent					Assay Description To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...				US Patent US9182402 (2015) BindingDB Entry DOI: 10.7270/Q23F4NF7
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50013876 (CHEMBL291278 | Methyl aspartic acid | N-Methyl asp...) Show SMILES CN[C@H](CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Activity at rat NR1/NR2D receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp electrophysiology				J Med Chem 51: 4179-87 (2008) Article DOI: 10.1021/jm800025e BindingDB Entry DOI: 10.7270/Q28C9X5Q
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50013876 (CHEMBL291278 | Methyl aspartic acid | N-Methyl asp...) Show SMILES CN[C@H](CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Activity at rat recombinant NR1/NR2B receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp elect...				J Med Chem 51: 4179-87 (2008) Article DOI: 10.1021/jm800025e BindingDB Entry DOI: 10.7270/Q28C9X5Q
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50013876 (CHEMBL291278 | Methyl aspartic acid | N-Methyl asp...) Show SMILES CN[C@H](CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Activity at rat recombinant NR1/NR2C receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp elect...				J Med Chem 51: 4179-87 (2008) Article DOI: 10.1021/jm800025e BindingDB Entry DOI: 10.7270/Q28C9X5Q
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50013876 (CHEMBL291278 | Methyl aspartic acid | N-Methyl asp...) Show SMILES CN[C@H](CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Activity at rat recombinant NR1/NR2A receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp elect...				J Med Chem 51: 4179-87 (2008) Article DOI: 10.1021/jm800025e BindingDB Entry DOI: 10.7270/Q28C9X5Q
					More data for this Ligand-Target Pair