BDBM50485792 CHEMBL2164467

SMILES: CC(C)(C)Cn1ccc2c(Oc3ccc(N)cc3)ncnc12

InChI Key: InChIKey=CFZRIPSKGMPZQH-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 = 50485792   

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
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50485792 (CHEMBL2164467) Show SMILES CC(C)(C)Cn1ccc2c(Oc3ccc(N)cc3)ncnc12 Show InChI InChI=1S/C17H20N4O/c1-17(2,3)10-21-9-8-14-15(21)19-11-20-16(14)22-13-6-4-12(18)5-7-13/h4-9,11H,10,18H2,1-3H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Mixed-type inhibition of Photinus pyralis luciferase using D-luciferin as substrate after 20 mins by bioluminescence assay				Bioorg Med Chem 20: 5473-82 (2012) Article DOI: 10.1016/j.bmc.2012.07.035 BindingDB Entry DOI: 10.7270/Q2W95D2J
					More data for this Ligand-Target Pair