BDBM50128344 CHEMBL3629177

SMILES: COc1ccc(Nc2nc3cc(NC(=O)CCCCOc4ccc(cc4)C(\N)=N\O)ccc3o2)cc1

InChI Key: InChIKey=HFTRNYFARDMCBM-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50128344   

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
Tumor necrosis factor ligand superfamily member 11 (Mus musculus)	BDBM50128344 (CHEMBL3629177) Show SMILES COc1ccc(Nc2nc3cc(NC(=O)CCCCOc4ccc(cc4)C(\N)=N\O)ccc3o2)cc1 Show InChI InChI=1S/C26H27N5O5/c1-34-20-12-7-18(8-13-20)29-26-30-22-16-19(9-14-23(22)36-26)28-24(32)4-2-3-15-35-21-10-5-17(6-11-21)25(27)31-33/h5-14,16,33H,2-4,15H2,1H3,(H2,27,31)(H,28,32)(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Sookmyung Women's University Curated by ChEMBL					Assay Description Antiosteoclast activity in mouse BMM cells assessed as reduction of RANKL-induced osteoclasts differentiation by measuring TRAP positive multinucleat...				Bioorg Med Chem 23: 7069-78 (2015) BindingDB Entry DOI: 10.7270/Q23N256M
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Mus musculus)	BDBM50128344 (CHEMBL3629177) Show SMILES COc1ccc(Nc2nc3cc(NC(=O)CCCCOc4ccc(cc4)C(\N)=N\O)ccc3o2)cc1 Show InChI InChI=1S/C26H27N5O5/c1-34-20-12-7-18(8-13-20)29-26-30-22-16-19(9-14-23(22)36-26)28-24(32)4-2-3-15-35-21-10-5-17(6-11-21)25(27)31-33/h5-14,16,33H,2-4,15H2,1H3,(H2,27,31)(H,28,32)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sookmyung Women's University Curated by ChEMBL					Assay Description Inhibition of 5-LO in mouse BMM cells assessed as formation of LTC4 after 30 mins by enzyme immunoassay				Bioorg Med Chem 23: 7069-78 (2015) BindingDB Entry DOI: 10.7270/Q23N256M
					More data for this Ligand-Target Pair