BDBM15012 2,4-diethyl 3-ethyl-5-formyl-1H-pyrrole-2,4-dicarboxylate::Pyrrole Analogue 2

SMILES: CCOC(=O)c1[nH]c(C=O)c(C(=O)OCC)c1CC

InChI Key: InChIKey=YSDNTJBORIAYFL-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 15012   

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
Insulin receptor (Homo sapiens (Human))	BDBM15012 (2,4-diethyl 3-ethyl-5-formyl-1H-pyrrole-2,4-dicarb...) Show SMILES CCOC(=O)c1[nH]c(C=O)c(C(=O)OCC)c1CC Show InChI InChI=1S/C13H17NO5/c1-4-8-10(12(16)18-5-2)9(7-15)14-11(8)13(17)19-6-3/h7,14H,4-6H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description The assay uses purified enzyme interacting with biotinylated peptide substrate.HTRF is based on the proximity of europium cryptate (donor fluorophore...				Biochemistry 44: 9430-40 (2005) Article DOI: 10.1021/bi0500628 BindingDB Entry DOI: 10.7270/Q2BV7DV5
					More data for this Ligand-Target Pair
Histidine biosynthesis bifunctional protein HisB (Escherichia coli (strain K12))	BDBM15012 (2,4-diethyl 3-ethyl-5-formyl-1H-pyrrole-2,4-dicarb...) Show SMILES CCOC(=O)c1[nH]c(C=O)c(C(=O)OCC)c1CC Show InChI InChI=1S/C13H17NO5/c1-4-8-10(12(16)18-5-2)9(7-15)14-11(8)13(17)19-6-3/h7,14H,4-6H2,1-3H3	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Monsanto Company Curated by ChEMBL					Assay Description Inhibition of Escherichia coli imidazoleglycerol phosphate dehydratase using imidazole glycerol phosphate as substrate incubated for 30 min prior to ...				Bioorg Med Chem Lett 12: 1743-6 (2002) Article DOI: 10.1016/s0960-894x(02)00283-4 BindingDB Entry DOI: 10.7270/Q2P55RDX
					More data for this Ligand-Target Pair
Insulin-like growth factor I receptor (Homo sapiens (Human))	BDBM15012 (2,4-diethyl 3-ethyl-5-formyl-1H-pyrrole-2,4-dicarb...) Show SMILES CCOC(=O)c1[nH]c(C=O)c(C(=O)OCC)c1CC Show InChI InChI=1S/C13H17NO5/c1-4-8-10(12(16)18-5-2)9(7-15)14-11(8)13(17)19-6-3/h7,14H,4-6H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description The assay uses purified enzyme interacting with biotinylated peptide substrate.HTRF is based on the proximity of europium cryptate (donor fluorophore...				Biochemistry 44: 9430-40 (2005) Article DOI: 10.1021/bi0500628 BindingDB Entry DOI: 10.7270/Q2BV7DV5
					More data for this Ligand-Target Pair