Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 414.5 BDBM50095595

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Lanosterol synthase (Homo sapiens (Human))	BDBM50095595 ((4-Benzenesulfonyl-piperazin-1-yl)-(3,4,5,6-tetrah...) Show SMILES O=C(C1CCN(CC1)c1ccncc1)N1CCN(CC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H26N4O3S/c26-21(18-8-12-23(13-9-18)19-6-10-22-11-7-19)24-14-16-25(17-15-24)29(27,28)20-4-2-1-3-5-20/h1-7,10-11,18H,8-9,12-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	143	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Compound was tested for its inhibition against human OSC enzyme				J Med Chem 43: 4964-72 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GX6
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50095595 ((4-Benzenesulfonyl-piperazin-1-yl)-(3,4,5,6-tetrah...) Show SMILES O=C(C1CCN(CC1)c1ccncc1)N1CCN(CC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H26N4O3S/c26-21(18-8-12-23(13-9-18)19-6-10-22-11-7-19)24-14-16-25(17-15-24)29(27,28)20-4-2-1-3-5-20/h1-7,10-11,18H,8-9,12-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	326	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro inhibitory activityof the compound against rat microsomal 2,3-Oxidosqualene lanosterol cyclase (OSC)				J Med Chem 43: 4964-72 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GX6
					More data for this Ligand-Target Pair