Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 508.4 BDBM50095597

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))	BDBM50095597 (CHEMBL359233 | [4-(4-Bromo-benzenesulfonyl)-pipera...) Show SMILES Cc1nccc(n1)N1CCC(CC1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C21H26BrN5O3S/c1-16-23-9-6-20(24-16)25-10-7-17(8-11-25)21(28)26-12-14-27(15-13-26)31(29,30)19-4-2-18(22)3-5-19/h2-6,9,17H,7-8,10-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	112	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)	BDBM50095597 (CHEMBL359233 | [4-(4-Bromo-benzenesulfonyl)-pipera...) Show SMILES Cc1nccc(n1)N1CCC(CC1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C21H26BrN5O3S/c1-16-23-9-6-20(24-16)25-10-7-17(8-11-25)21(28)26-12-14-27(15-13-26)31(29,30)19-4-2-18(22)3-5-19/h2-6,9,17H,7-8,10-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	398	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 rat OSC enzyme				J Med Chem 43: 4964-72 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GX6
					More data for this Ligand-Target Pair