BDBM50269718 CHEMBL4102408

SMILES: CS(=O)(=O)Nc1ccc(cc1)-c1csc(n1)N(Cc1ccccn1)c1ccc2nn[nH]c2c1

InChI Key: InChIKey=GJDLCVJKLFXFMP-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 = 50269718   

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))	BDBM50269718 (CHEMBL4102408) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1csc(n1)N(Cc1ccccn1)c1ccc2nn[nH]c2c1 Show InChI InChI=1S/C22H19N7O2S2/c1-33(30,31)27-16-7-5-15(6-8-16)21-14-32-22(24-21)29(13-17-4-2-3-11-23-17)18-9-10-19-20(12-18)26-28-25-19/h2-12,14,27H,13H2,1H3,(H,25,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 305-764, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay				Bioorg Med Chem Lett 27: 4156-4164 (2017) Article DOI: 10.1016/j.bmcl.2017.07.022 BindingDB Entry DOI: 10.7270/Q24F1T6B
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