BDBM258585 US10633384, 13.01::US9493486, 13.01

SMILES: Fc1cc(OC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)N2CCc3[nH]nnc3C2)CC1

InChI Key: InChIKey=CCYQBVTYCWKICH-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 = 258585   

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))	BDBM258585 (US10633384, 13.01 | US9493486, 13.01) Show SMILES Fc1cc(OC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)N2CCc3[nH]nnc3C2)CC1 Show InChI InChI=1S/C22H24F4N6O4/c23-16-9-15(36-22(24,25)26)2-1-14(16)11-35-20(34)30-7-4-21(5-8-30)12-32(13-21)19(33)31-6-3-17-18(10-31)28-29-27-17/h1-2,9H,3-8,10-13H2,(H,27,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	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))	BDBM258585 (US10633384, 13.01 | US9493486, 13.01) Show SMILES Fc1cc(OC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)N2CCc3[nH]nnc3C2)CC1 Show InChI InChI=1S/C22H24F4N6O4/c23-16-9-15(36-22(24,25)26)2-1-14(16)11-35-20(34)30-7-4-21(5-8-30)12-32(13-21)19(33)31-6-3-17-18(10-31)28-29-27-17/h1-2,9H,3-8,10-13H2,(H,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	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