BDBM50352642 CHEMBL1709231

SMILES: O=C(Nc1ccccc1)C1CCN(CC1)c1ncc(s1)-c1ccc2OCCCOc2c1

InChI Key: InChIKey=JLTGWNGXPNHIFU-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 = 50352642   

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)	BDBM50352642 (CHEMBL1709231) Show SMILES O=C(Nc1ccccc1)C1CCN(CC1)c1ncc(s1)-c1ccc2OCCCOc2c1 Show InChI InChI=1S/C24H25N3O3S/c28-23(26-19-5-2-1-3-6-19)17-9-11-27(12-10-17)24-25-16-22(31-24)18-7-8-20-21(15-18)30-14-4-13-29-20/h1-3,5-8,15-17H,4,9-14H2,(H,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	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