BDBM50233918 CHEMBL4063573

SMILES: Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)cc2n1C

InChI Key: InChIKey=MZXTWQCBLHBIKZ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50233918   

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))	BDBM50233918 (CHEMBL4063573) Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)cc2n1C Show InChI InChI=1S/C17H14ClNO2S/c1-10-16(14-7-6-12(18)9-15(14)19(10)2)22-13-5-3-4-11(8-13)17(20)21/h3-9H,1-2H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Inhibition of human ATX expressed in HEK293 Flp-In cells using LPC as substrate measured every 30 sec for 90 mins by fluorescence assay				J Med Chem 60: 722-748 (2017) BindingDB Entry DOI: 10.7270/Q2MW2KCW
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50233918 (CHEMBL4063573) Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)cc2n1C Show InChI InChI=1S/C17H14ClNO2S/c1-10-16(14-7-6-12(18)9-15(14)19(10)2)22-13-5-3-4-11(8-13)17(20)21/h3-9H,1-2H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Inhibition of ATX (unknown origin) using lysophosphatidyl choline as substrate				J Med Chem 60: 722-748 (2017) BindingDB Entry DOI: 10.7270/Q2MW2KCW
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50233918 (CHEMBL4063573) Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)cc2n1C Show InChI InChI=1S/C17H14ClNO2S/c1-10-16(14-7-6-12(18)9-15(14)19(10)2)22-13-5-3-4-11(8-13)17(20)21/h3-9H,1-2H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Inhibition of recombinant human ATX using bisP-nitrophenyl phosphate as substrate measured after 30 mins				J Med Chem 60: 722-748 (2017) BindingDB Entry DOI: 10.7270/Q2MW2KCW
					More data for this Ligand-Target Pair