BDBM232964 US9353113, Ref. Ex. 2

SMILES: OC(=O)[C@H]1CC[C@H](CC(=O)N2CCc3c(C2)n(Cc2ccc(F)cc2F)c2ncccc32)CC1

InChI Key: InChIKey=PMDBHVLDYVKHEL-QAQDUYKDSA-N

Data: 3 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 3 hits for monomerid = 232964   

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))	BDBM232964 (US9353113, Ref. Ex. 2) Show SMILES OC(=O)[C@H]1CC[C@H](CC(=O)N2CCc3c(C2)n(Cc2ccc(F)cc2F)c2ncccc32)CC1 |r,wU:6.6,wD:3.2,(16.99,1.14,;15.95,-.01,;16.43,-1.47,;14.45,.31,;13.97,1.78,;12.47,2.1,;11.44,.95,;9.93,1.27,;8.9,.13,;9.37,-1.34,;7.39,.45,;6.92,1.91,;5.41,2.23,;4.38,1.09,;4.86,-.37,;6.36,-.69,;3.61,-1.28,;3.61,-2.82,;2.28,-3.59,;.94,-2.82,;-.39,-3.59,;-.39,-5.13,;-1.72,-5.9,;.94,-5.9,;2.28,-5.13,;3.61,-5.9,;2.36,-.37,;.86,-.69,;-.17,.45,;.3,1.91,;1.81,2.23,;2.84,1.09,;11.91,-.51,;13.42,-.83,)| Show InChI InChI=1S/C26H27F2N3O3/c27-19-8-7-18(22(28)13-19)14-31-23-15-30(11-9-20(23)21-2-1-10-29-25(21)31)24(32)12-16-3-5-17(6-4-16)26(33)34/h1-2,7-8,10,13,16-17H,3-6,9,11-12,14-15H2,(H,33,34)/t16-,17-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	9.0	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description 10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...				US Patent US9353113 (2016) BindingDB Entry DOI: 10.7270/Q20Z7250
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM232964 (US9353113, Ref. Ex. 2) Show SMILES OC(=O)[C@H]1CC[C@H](CC(=O)N2CCc3c(C2)n(Cc2ccc(F)cc2F)c2ncccc32)CC1 |r,wU:6.6,wD:3.2,(16.99,1.14,;15.95,-.01,;16.43,-1.47,;14.45,.31,;13.97,1.78,;12.47,2.1,;11.44,.95,;9.93,1.27,;8.9,.13,;9.37,-1.34,;7.39,.45,;6.92,1.91,;5.41,2.23,;4.38,1.09,;4.86,-.37,;6.36,-.69,;3.61,-1.28,;3.61,-2.82,;2.28,-3.59,;.94,-2.82,;-.39,-3.59,;-.39,-5.13,;-1.72,-5.9,;.94,-5.9,;2.28,-5.13,;3.61,-5.9,;2.36,-.37,;.86,-.69,;-.17,.45,;.3,1.91,;1.81,2.23,;2.84,1.09,;11.91,-.51,;13.42,-.83,)| Show InChI InChI=1S/C26H27F2N3O3/c27-19-8-7-18(22(28)13-19)14-31-23-15-30(11-9-20(23)21-2-1-10-29-25(21)31)24(32)12-16-3-5-17(6-4-16)26(33)34/h1-2,7-8,10,13,16-17H,3-6,9,11-12,14-15H2,(H,33,34)/t16-,17-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of LysoPLD activity of ATX in human plasma assessed as reduction in choline release using LPC(16:0) as substrate incubated for 15 hrs				ACS Med Chem Lett 11: 1335-1341 (2020)
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM232964 (US9353113, Ref. Ex. 2) Show SMILES OC(=O)[C@H]1CC[C@H](CC(=O)N2CCc3c(C2)n(Cc2ccc(F)cc2F)c2ncccc32)CC1 |r,wU:6.6,wD:3.2,(16.99,1.14,;15.95,-.01,;16.43,-1.47,;14.45,.31,;13.97,1.78,;12.47,2.1,;11.44,.95,;9.93,1.27,;8.9,.13,;9.37,-1.34,;7.39,.45,;6.92,1.91,;5.41,2.23,;4.38,1.09,;4.86,-.37,;6.36,-.69,;3.61,-1.28,;3.61,-2.82,;2.28,-3.59,;.94,-2.82,;-.39,-3.59,;-.39,-5.13,;-1.72,-5.9,;.94,-5.9,;2.28,-5.13,;3.61,-5.9,;2.36,-.37,;.86,-.69,;-.17,.45,;.3,1.91,;1.81,2.23,;2.84,1.09,;11.91,-.51,;13.42,-.83,)| Show InChI InChI=1S/C26H27F2N3O3/c27-19-8-7-18(22(28)13-19)14-31-23-15-30(11-9-20(23)21-2-1-10-29-25(21)31)24(32)12-16-3-5-17(6-4-16)26(33)34/h1-2,7-8,10,13,16-17H,3-6,9,11-12,14-15H2,(H,33,34)/t16-,17-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human ATX assessed as reduction in choline release using LPC(16:0) as substrate incubated for 15 hrs				ACS Med Chem Lett 11: 1335-1341 (2020)
					More data for this Ligand-Target Pair