BDBM42099 BIM-0026852.P001::N-[(E)-1-(2-hydroxyethylcarbamoyl)-2-p-phenetyl-vinyl]-4-methyl-benzamide::N-[(E)-1-(4-ethoxyphenyl)-3-(2-hydroxyethylamino)-3-oxidanylidene-prop-1-en-2-yl]-4-methyl-benzamide::N-[(E)-1-(4-ethoxyphenyl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide::cid_5341602

SMILES: CCOc1ccc(\C=C(\NC(=O)c2ccc(C)cc2)C(=O)NCCO)cc1

InChI Key: InChIKey=HWDRXCAAMVNBRZ-XMHGGMMESA-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 = 42099   

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))	BDBM42099 (BIM-0026852.P001 | N-[(E)-1-(2-hydroxyethylcarbamo...) Show SMILES CCOc1ccc(\C=C(\NC(=O)c2ccc(C)cc2)C(=O)NCCO)cc1 Show InChI InChI=1S/C21H24N2O4/c1-3-27-18-10-6-16(7-11-18)14-19(21(26)22-12-13-24)23-20(25)17-8-4-15(2)5-9-17/h4-11,14,24H,3,12-13H2,1-2H3,(H,22,26)(H,23,25)/b19-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.33E+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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