BDBM42114 4-(2,5-dimethyl-1-pyrrolyl)-3-methoxyaniline::4-(2,5-dimethylpyrrol-1-yl)-3-methoxy-aniline::4-(2,5-dimethylpyrrol-1-yl)-3-methoxyaniline::BIM-0001235.P001::[4-(2,5-dimethylpyrrol-1-yl)-3-methoxy-phenyl]amine::cid_776843

SMILES: COc1cc(N)ccc1-n1c(C)ccc1C

InChI Key: InChIKey=JUZSJZVHZLTKOW-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 = 42114   

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))	BDBM42114 (4-(2,5-dimethyl-1-pyrrolyl)-3-methoxyaniline | 4-(...) Show SMILES COc1cc(N)ccc1-n1c(C)ccc1C |(3.08,-.18,;4.41,.59,;5.75,-.18,;5.75,-1.72,;7.08,-2.49,;7.08,-4.03,;8.41,-1.72,;8.41,-.18,;7.08,.59,;7.08,2.13,;8.33,3.04,;9.79,2.56,;7.85,4.5,;6.31,4.5,;5.84,3.04,;4.37,2.56,)| Show InChI InChI=1S/C13H16N2O/c1-9-4-5-10(2)15(9)12-7-6-11(14)8-13(12)16-3/h4-8H,14H2,1-3H3	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	3.29E+4	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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