BDBM50200570 CHEMBL3953575

SMILES: Clc1ccc(CNC(=O)CCc2nc3cccnc3n2Cc2ccccc2)cc1

InChI Key: InChIKey=GXWVBRHUSOTZCH-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50200570   

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))	BDBM50200570 (CHEMBL3953575) Show SMILES Clc1ccc(CNC(=O)CCc2nc3cccnc3n2Cc2ccccc2)cc1 Show InChI InChI=1S/C23H21ClN4O/c24-19-10-8-17(9-11-19)15-26-22(29)13-12-21-27-20-7-4-14-25-23(20)28(21)16-18-5-2-1-3-6-18/h1-11,14H,12-13,15-16H2,(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Babraham Research Campus Curated by ChEMBL					Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...				Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50200570 (CHEMBL3953575) Show SMILES Clc1ccc(CNC(=O)CCc2nc3cccnc3n2Cc2ccccc2)cc1 Show InChI InChI=1S/C23H21ClN4O/c24-19-10-8-17(9-11-19)15-26-22(29)13-12-21-27-20-7-4-14-25-23(20)28(21)16-18-5-2-1-3-6-18/h1-11,14H,12-13,15-16H2,(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Babraham Research Campus Curated by ChEMBL					Assay Description Inhibition of ATX in human plasma assessed as decrease in hydrolysis of lysophosphatidylcholine by measuring choline release after 24 hrs by horserad...				Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1
					More data for this Ligand-Target Pair