BDBM50171229 CHEMBL3805211

SMILES: O=S(=O)(N1CCCC(Cn2ccnc2)C1)c1ccc2OCCOc2c1

InChI Key: InChIKey=LIIDVDKIYDAULM-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 = 50171229   

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))	BDBM50171229 (CHEMBL3805211) Show SMILES O=S(=O)(N1CCCC(Cn2ccnc2)C1)c1ccc2OCCOc2c1 Show InChI InChI=1S/C17H21N3O4S/c21-25(22,15-3-4-16-17(10-15)24-9-8-23-16)20-6-1-2-14(12-20)11-19-7-5-18-13-19/h3-5,7,10,13-14H,1-2,6,8-9,11-12H2	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	13	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