BDBM42112 5-chloranyl-2-(2,5-dimethylpyrrol-1-yl)benzoic acid::5-chloro-2-(2,5-dimethyl-1-pyrrolyl)benzoic acid::5-chloro-2-(2,5-dimethylpyrrol-1-yl)benzoic acid::BIM-0038642.P001::cid_767153

SMILES: Cc1ccc(C)n1-c1ccc(Cl)cc1C(O)=O

InChI Key: InChIKey=ZUNYXBKRXNVRLI-UHFFFAOYSA-N

Data: 1 EC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 42112   

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))	BDBM42112 (5-chloranyl-2-(2,5-dimethylpyrrol-1-yl)benzoic aci...) Show SMILES Cc1ccc(C)n1-c1ccc(Cl)cc1C(O)=O |(10.11,2.32,;8.64,2.8,;8.17,4.26,;6.63,4.26,;6.15,2.8,;4.72,3.38,;7.4,1.9,;7.4,.36,;8.73,-.41,;8.73,-1.95,;7.4,-2.72,;7.4,-4.26,;6.06,-1.95,;6.06,-.41,;4.55,-.68,;4.02,-2.13,;3.56,.5,)| Show InChI InChI=1S/C13H12ClNO2/c1-8-3-4-9(2)15(8)12-6-5-10(14)7-11(12)13(16)17/h3-7H,1-2H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	940	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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