BDBM50274089 CHEMBL4128124

SMILES: Clc1cc(Cl)cc(COC(=O)N2CC(C2)N2CCN(CC2)C(=O)c2ccc3[nH]c(=O)oc3c2)c1

InChI Key: InChIKey=JSOGYCZCSLVJJT-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 = 50274089   

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))	BDBM50274089 (CHEMBL4128124) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CC(C2)N2CCN(CC2)C(=O)c2ccc3[nH]c(=O)oc3c2)c1 Show InChI InChI=1S/C23H22Cl2N4O5/c24-16-7-14(8-17(25)10-16)13-33-23(32)29-11-18(12-29)27-3-5-28(6-4-27)21(30)15-1-2-19-20(9-15)34-22(31)26-19/h1-2,7-10,18H,3-6,11-13H2,(H,26,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release				Bioorg Med Chem Lett 28: 2279-2284 (2018) Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV
					More data for this Ligand-Target Pair