BDBM50171390 CHEMBL3805733

SMILES: O=S(=O)(N1CCCC(Cn2ccnc2)C1)c1ccc(OC2CCCC2)cc1

InChI Key: InChIKey=ZRCRTKJDNGKBTN-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 = 50171390   

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
Aromatase (Homo sapiens (Human))	BDBM50171390 (CHEMBL3805733) Show SMILES O=S(=O)(N1CCCC(Cn2ccnc2)C1)c1ccc(OC2CCCC2)cc1 Show InChI InChI=1S/C20H27N3O3S/c24-27(25,20-9-7-19(8-10-20)26-18-5-1-2-6-18)23-12-3-4-17(15-23)14-22-13-11-21-16-22/h7-11,13,16-18H,1-6,12,14-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti 'G. d'Annunzio' Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analy...				Bioorg Med Chem Lett 26: 3192-4 (2016) BindingDB Entry DOI: 10.7270/Q29C70CS
					More data for this Ligand-Target Pair