Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM192985'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM192985 (US10526329, Compound 165 | US11072611, Compound 16...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1C#N)N1CCN(CC(=O)N2CC(F)(F)C2)CC1 Show InChI InChI=1S/C29H29F3N8OS/c1-3-23-27(36(2)28-35-24(16-42-28)22-6-4-20(30)12-19(22)13-33)40-14-21(5-7-25(40)34-23)38-10-8-37(9-11-38)15-26(41)39-17-29(31,32)18-39/h4-7,12,14,16H,3,8-11,15,17-18H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	8.5	25
GALAPAGOS NV US Patent					Assay Description Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate. 5 μL of a di...				US Patent US9670204 (2017) BindingDB Entry DOI: 10.7270/Q2W66HZS
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM192985 (US10526329, Compound 165 | US11072611, Compound 16...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1C#N)N1CCN(CC(=O)N2CC(F)(F)C2)CC1 Show InChI InChI=1S/C29H29F3N8OS/c1-3-23-27(36(2)28-35-24(16-42-28)22-6-4-20(30)12-19(22)13-33)40-14-21(5-7-25(40)34-23)38-10-8-37(9-11-38)15-26(41)39-17-29(31,32)18-39/h4-7,12,14,16H,3,8-11,15,17-18H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TABLE V: 5 μL of a dilution series of compound, starting from 20 μM highest concentration, 1/5 dilution, is added to the wells. hENPP2 is u...				Citation and Details BindingDB Entry DOI: 10.7270/Q241716Z
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM192985 (US10526329, Compound 165 | US11072611, Compound 16...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1C#N)N1CCN(CC(=O)N2CC(F)(F)C2)CC1 Show InChI InChI=1S/C29H29F3N8OS/c1-3-23-27(36(2)28-35-24(16-42-28)22-6-4-20(30)12-19(22)13-33)40-14-21(5-7-25(40)34-23)38-10-8-37(9-11-38)15-26(41)39-17-29(31,32)18-39/h4-7,12,14,16H,3,8-11,15,17-18H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
GALAPAGOS NV US Patent					Assay Description Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...				US Patent US10526329 (2020) BindingDB Entry DOI: 10.7270/Q2Z60RGR
					More data for this Ligand-Target Pair