BDBM258504 US10633384, Example 1.26::US9493486, 1.26

SMILES: CC(C)c1cc(Cl)ccc1OCC(=O)N1CCC2(CN(C2)C(=O)c2ccc3[nH]nnc3c2)CC1

InChI Key: InChIKey=YMNUUEPTOAODOJ-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 = 258504   

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))	BDBM258504 (US10633384, Example 1.26 | US9493486, 1.26) Show SMILES CC(C)c1cc(Cl)ccc1OCC(=O)N1CCC2(CN(C2)C(=O)c2ccc3[nH]nnc3c2)CC1 Show InChI InChI=1S/C25H28ClN5O3/c1-16(2)19-12-18(26)4-6-22(19)34-13-23(32)30-9-7-25(8-10-30)14-31(15-25)24(33)17-3-5-20-21(11-17)28-29-27-20/h3-6,11-12,16H,7-10,13-15H2,1-2H3,(H,27,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	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))	BDBM258504 (US10633384, Example 1.26 | US9493486, 1.26) Show SMILES CC(C)c1cc(Cl)ccc1OCC(=O)N1CCC2(CN(C2)C(=O)c2ccc3[nH]nnc3c2)CC1 Show InChI InChI=1S/C25H28ClN5O3/c1-16(2)19-12-18(26)4-6-22(19)34-13-23(32)30-9-7-25(8-10-30)14-31(15-25)24(33)17-3-5-20-21(11-17)28-29-27-20/h3-6,11-12,16H,7-10,13-15H2,1-2H3,(H,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	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