BDBM50266937 CHEMBL4095125

SMILES: OB(O)c1ccc(CCCN2CCC(CC2)c2nc(O)c(Cc3ccc(Cl)c(Cl)c3)s2)cc1

InChI Key: InChIKey=ZMZYMVIKMFQKCX-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 = 50266937   

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 (Mus musculus)	BDBM50266937 (CHEMBL4095125) Show SMILES OB(O)c1ccc(CCCN2CCC(CC2)c2nc(O)c(Cc3ccc(Cl)c(Cl)c3)s2)cc1 Show InChI InChI=1S/C24H27BCl2N2O3S/c26-20-8-5-17(14-21(20)27)15-22-23(30)28-24(33-22)18-9-12-29(13-10-18)11-1-2-16-3-6-19(7-4-16)25(31)32/h3-8,14,18,30-32H,1-2,9-13,15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California, Inc. Curated by ChEMBL					Assay Description Inhibition of mouse ATX using TG-mTMP as substrate after 2 hrs by fluorometric analysis				J Med Chem 60: 5209-5215 (2017) Article DOI: 10.1021/acs.jmedchem.6b01224 BindingDB Entry DOI: 10.7270/Q2319ZCT
					More data for this Ligand-Target Pair