BDBM258519 US10633384, Example 5.1::US9493486, 5.1

SMILES: Clc1cc(Cl)cc(CCC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1

InChI Key: InChIKey=DBPDXQVNPSOVIS-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 = 258519   

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
Ataxin-2 (Homo sapiens (Human))	BDBM258519 (US10633384, Example 5.1 | US9493486, 5.1) Show SMILES Clc1cc(Cl)cc(CCC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1 Show InChI InChI=1S/C24H23Cl2N3O4/c25-17-9-15(10-18(26)12-17)1-4-21(30)28-7-5-24(6-8-28)13-29(14-24)22(31)16-2-3-19-20(11-16)33-23(32)27-19/h2-3,9-12H,1,4-8,13-14H2,(H,27,32)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10633384 (2020)
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM258519 (US10633384, Example 5.1 | US9493486, 5.1) Show SMILES Clc1cc(Cl)cc(CCC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1 Show InChI InChI=1S/C24H23Cl2N3O4/c25-17-9-15(10-18(26)12-17)1-4-21(30)28-7-5-24(6-8-28)13-29(14-24)22(31)16-2-3-19-20(11-16)33-23(32)27-19/h2-3,9-12H,1,4-8,13-14H2,(H,27,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	61	n/a	n/a	n/a	n/a	8.0	30
Hoffmann-La Roches Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US9493486 (2016) BindingDB Entry DOI: 10.7270/Q2VT1R1K
					More data for this Ligand-Target Pair