BDBM42117 2-(2,5-dimethyl-1-pyrrolyl)benzoic acid::2-(2,5-dimethylpyrrol-1-yl)benzoic acid::BIM-0048144.P001::cid_292956

SMILES: Cc1ccc(C)n1-c1ccccc1C(O)=O

InChI Key: InChIKey=ZLYUUANOICYAAL-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 42117   

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
nuclear receptor subfamily 4, group A, member 1 (Homo sapiens (Human))	BDBM42117 (2-(2,5-dimethyl-1-pyrrolyl)benzoic acid | 2-(2,5-d...) Show SMILES Cc1ccc(C)n1-c1ccccc1C(O)=O |(10.11,1.55,;8.64,2.03,;8.17,3.49,;6.63,3.49,;6.15,2.03,;4.72,2.61,;7.4,1.13,;7.4,-.41,;8.73,-1.18,;8.73,-2.72,;7.4,-3.49,;6.06,-2.72,;6.06,-1.18,;4.55,-1.45,;4.02,-2.9,;3.56,-.27,)| Show InChI InChI=1S/C13H13NO2/c1-9-7-8-10(2)14(9)12-6-4-3-5-11(12)13(15)16/h3-8H,1-2H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	620	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
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