BDBM50353583 CHEMBL1831084

SMILES: CCCCOC(=O)C(C)(C)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1

InChI Key: InChIKey=PRMYIDMFDBPNTK-UHFFFAOYSA-N

Data: 1 IC50

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 = 50353583   

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
Cytochrome CYP26A1 (Homo sapiens (Human))	BDBM50353583 (CHEMBL1831084) Show SMILES CCCCOC(=O)C(C)(C)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1 Show InChI InChI=1S/C28H31N3O2/c1-4-5-18-33-27(32)28(2,3)26(31-17-16-29-20-31)22-11-13-24(14-12-22)30-25-15-10-21-8-6-7-9-23(21)19-25/h6-17,19-20,26,30H,4-5,18H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of human CYP26A1 assessed using [11,12-3H]ATRA as substrate by scintillation counting				J Med Chem 54: 6803-11 (2011) Article DOI: 10.1021/jm200695m BindingDB Entry DOI: 10.7270/Q2WM1DSJ
					More data for this Ligand-Target Pair