BindingDB logo
myBDB logout

BDBM50129234 5-Hydroxymethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid 4-tert-butyl ester 2-propyl ester::CHEMBL67737

SMILES: CCCOC(=O)c1[nH]c(CO)c(C(=O)OC(C)(C)C)c1C

InChI Key: InChIKey=SSWRFZSEIVUPRU-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 50129234   
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
Metabotropic glutamate receptor


(RAT)		BDBM50129234
PNG
(5-Hydroxymethyl-3-methyl-1H-pyrrole-2,4-dicarboxyl...)
Show SMILES CCCOC(=O)c1[nH]c(CO)c(C(=O)OC(C)(C)C)c1C
Show InChI InChI=1S/C15H23NO5/c1-6-7-20-14(19)12-9(2)11(10(8-17)16-12)13(18)21-15(3,4)5/h16-17H,6-8H2,1-5H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 7.90E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibition of rat metabotropic glutamate receptor 1 in CHO cells using the CDP-DAG accumulation method.

Bioorg Med Chem Lett 13: 2113-8 (2003)


BindingDB Entry DOI: 10.7270/Q2PN9519
More data for this
Ligand-Target Pair