BDBM50435901 CHEMBL2391442

SMILES: COc1cc(Cc2cc(C)nn(CC(=O)Nc3ccc(I)cc3)c2=O)cc(OC)c1

InChI Key: InChIKey=COJKOCXBOKKCES-UHFFFAOYSA-N

Data: 1 EC50

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 = 50435901   

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
FML2_HUMAN (Homo sapiens (Human))	BDBM50435901 (CHEMBL2391442) Show SMILES COc1cc(Cc2cc(C)nn(CC(=O)Nc3ccc(I)cc3)c2=O)cc(OC)c1 Show InChI InChI=1S/C22H22IN3O4/c1-14-8-16(9-15-10-19(29-2)12-20(11-15)30-3)22(28)26(25-14)13-21(27)24-18-6-4-17(23)5-7-18/h4-8,10-12H,9,13H2,1-3H3,(H,24,27)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Agonist activity at FPR3 (unknown origin) transfected in human HL60 cells assessed as induction of Ca2+ mobilization				Eur J Med Chem 64: 512-28 (2013) Article DOI: 10.1016/j.ejmech.2013.03.066 BindingDB Entry DOI: 10.7270/Q2N29ZBP
					More data for this Ligand-Target Pair