BDBM50352641 CHEMBL1733803

SMILES: OC(=O)C1CCN(CC1)c1ncc(s1)-c1ccc2OCCCOc2c1

InChI Key: InChIKey=HAVNRFQWAXTDTI-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 = 50352641   

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
Luciferase (Luciola lateralis)	BDBM50352641 (CHEMBL1733803) Show SMILES OC(=O)C1CCN(CC1)c1ncc(s1)-c1ccc2OCCCOc2c1 Show InChI InChI=1S/C18H20N2O4S/c21-17(22)12-4-6-20(7-5-12)18-19-11-16(25-18)13-2-3-14-15(10-13)24-9-1-8-23-14/h2-3,10-12H,1,4-9H2,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of fire fly luciferase				J Med Chem 54: 6215-33 (2011) Article DOI: 10.1021/jm200497t BindingDB Entry DOI: 10.7270/Q22F7NVF
					More data for this Ligand-Target Pair