BDBM258509 US10633384, Example 2.2::US9493486, 2.2

SMILES: Clc1cc(Cl)cc(COC(=O)N2CC3(C2)CCN(CC3)C(=O)c2ccc3[nH]c(=O)oc3c2)c1

InChI Key: InChIKey=SIBYCEPFLIGWEY-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 = 258509   

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))	BDBM258509 (US10633384, Example 2.2 | US9493486, 2.2) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CC3(C2)CCN(CC3)C(=O)c2ccc3[nH]c(=O)oc3c2)c1 Show InChI InChI=1S/C23H21Cl2N3O5/c24-16-7-14(8-17(25)10-16)11-32-22(31)28-12-23(13-28)3-5-27(6-4-23)20(29)15-1-2-18-19(9-15)33-21(30)26-18/h1-2,7-10H,3-6,11-13H2,(H,26,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.7	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))	BDBM258509 (US10633384, Example 2.2 | US9493486, 2.2) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CC3(C2)CCN(CC3)C(=O)c2ccc3[nH]c(=O)oc3c2)c1 Show InChI InChI=1S/C23H21Cl2N3O5/c24-16-7-14(8-17(25)10-16)11-32-22(31)28-12-23(13-28)3-5-27(6-4-23)20(29)15-1-2-18-19(9-15)33-21(30)26-18/h1-2,7-10H,3-6,11-13H2,(H,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.7	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