BDBM50171227 CHEMBL3806301

SMILES: [O-][N+](=O)c1cccc(Cl)c1Oc1cccc(c1)S(=O)(=O)N1CCCC(Cn2ccnc2)C1

InChI Key: InChIKey=CTJWXNVZDGCCSX-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 = 50171227   

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))	BDBM50171227 (CHEMBL3806301) Show SMILES [O-][N+](=O)c1cccc(Cl)c1Oc1cccc(c1)S(=O)(=O)N1CCCC(Cn2ccnc2)C1 Show InChI InChI=1S/C21H21ClN4O5S/c22-19-7-2-8-20(26(27)28)21(19)31-17-5-1-6-18(12-17)32(29,30)25-10-3-4-16(14-25)13-24-11-9-23-15-24/h1-2,5-9,11-12,15-16H,3-4,10,13-14H2	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	9	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