BDBM42119 2-[4-(2,5-dimethyl-1-pyrrolyl)phenoxy]acetic acid::2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]acetic acid::2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]ethanoic acid::BIM-0001419.P001::cid_776871

SMILES: Cc1ccc(C)n1-c1ccc(OCC(O)=O)cc1

InChI Key: InChIKey=VKHKAGOXFDDDIY-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 42119   

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
Apurinic-apyrimidinic endonuclease 1 (APE-1) (Homo sapiens (Human))	BDBM42119 (2-[4-(2,5-dimethyl-1-pyrrolyl)phenoxy]acetic acid ...) Show SMILES Cc1ccc(C)n1-c1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C14H15NO3/c1-10-3-4-11(2)15(10)12-5-7-13(8-6-12)18-9-14(16)17/h3-8H,9H2,1-2H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal hexa-His tagged human APE1 expressed in Escherichia coli BL21 (Rosetta) using fluorescein-dabcyl-containing oligonucleotide ...				Bioorg Med Chem 25: 2531-2544 (2017) Article DOI: 10.1016/j.bmc.2017.01.028 BindingDB Entry DOI: 10.7270/Q2P55R4B
					More data for this Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1 (Homo sapiens (Human))	BDBM42119 (2-[4-(2,5-dimethyl-1-pyrrolyl)phenoxy]acetic acid ...) Show SMILES Cc1ccc(C)n1-c1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C14H15NO3/c1-10-3-4-11(2)15(10)12-5-7-13(8-6-12)18-9-14(16)17/h3-8H,9H2,1-2H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	n/a	n/a	8.75E+3	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2R78CMH
					More data for this Ligand-Target Pair