BDBM50456341 CHEMBL4212932

SMILES: Cl.CN(C)CCOc1ccc(OC2CCN(CC2)S(=O)(=O)c2ccc(F)cc2)cc1

InChI Key: InChIKey=HMICQRNOMXJMDR-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 = 50456341   

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
Lanosterol synthase (Homo sapiens (Human))	BDBM50456341 (CHEMBL4212932) Show SMILES Cl.CN(C)CCOc1ccc(OC2CCN(CC2)S(=O)(=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C21H27FN2O4S/c1-23(2)15-16-27-18-5-7-19(8-6-18)28-20-11-13-24(14-12-20)29(25,26)21-9-3-17(22)4-10-21/h3-10,20H,11-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology (AIST) Curated by ChEMBL					Assay Description Inhibition of human C-terminal His6-tagged OSC expressed in Pichia pastoris GS115 using 2,3-oxidosqualene as substrate after 90 mins by 1H NMR method				J Med Chem 61: 5047-5053 (2018) Article DOI: 10.1021/acs.jmedchem.8b00484 BindingDB Entry DOI: 10.7270/Q2NK3HN7
					More data for this Ligand-Target Pair