BDBM50439702 CHEMBL2418940

SMILES: COc1cc(CCNC(=O)c2ccc3n(CCc4ccc(OC)c(OC)c4)c(nc3c2)-c2cccc3ccccc23)cc(OC)c1

InChI Key: InChIKey=QRSYDAOKNXFSHU-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 = 50439702   

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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50439702 (CHEMBL2418940) Show SMILES COc1cc(CCNC(=O)c2ccc3n(CCc4ccc(OC)c(OC)c4)c(nc3c2)-c2cccc3ccccc23)cc(OC)c1 Show InChI InChI=1S/C38H37N3O5/c1-43-29-20-26(21-30(24-29)44-2)16-18-39-38(42)28-13-14-34-33(23-28)40-37(32-11-7-9-27-8-5-6-10-31(27)32)41(34)19-17-25-12-15-35(45-3)36(22-25)46-4/h5-15,20-24H,16-19H2,1-4H3,(H,39,42)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG-tagged human recombinant autotaxin using synthetic substrate FS-3 measured every 2 mins by FRET assay				Bioorg Med Chem 21: 5548-60 (2013) Article DOI: 10.1016/j.bmc.2013.05.061 BindingDB Entry DOI: 10.7270/Q2SF2XKS
					More data for this Ligand-Target Pair