Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM192945'   

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))	BDBM192945 (US10526329, Compound 141 | US11072611, Compound 14...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N(C)C)CC1 Show InChI InChI=1S/C28H31FN8OS/c1-5-22-27(34(4)28-32-26(23(16-30)39-28)19-6-8-20(29)9-7-19)37-17-21(10-11-24(37)31-22)36-14-12-35(13-15-36)18-25(38)33(2)3/h6-11,17H,5,12-15,18H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	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))	BDBM192945 (US10526329, Compound 141 | US11072611, Compound 14...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N(C)C)CC1 Show InChI InChI=1S/C28H31FN8OS/c1-5-22-27(34(4)28-32-26(23(16-30)39-28)19-6-8-20(29)9-7-19)37-17-21(10-11-24(37)31-22)36-14-12-35(13-15-36)18-25(38)33(2)3/h6-11,17H,5,12-15,18H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	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))	BDBM192945 (US10526329, Compound 141 | US11072611, Compound 14...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N(C)C)CC1 Show InChI InChI=1S/C28H31FN8OS/c1-5-22-27(34(4)28-32-26(23(16-30)39-28)19-6-8-20(29)9-7-19)37-17-21(10-11-24(37)31-22)36-14-12-35(13-15-36)18-25(38)33(2)3/h6-11,17H,5,12-15,18H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GALAPAGOS NV US Patent									US Patent US10526329 (2020) BindingDB Entry DOI: 10.7270/Q2Z60RGR
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM192945 (US10526329, Compound 141 | US11072611, Compound 14...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N(C)C)CC1 Show InChI InChI=1S/C28H31FN8OS/c1-5-22-27(34(4)28-32-26(23(16-30)39-28)19-6-8-20(29)9-7-19)37-17-21(10-11-24(37)31-22)36-14-12-35(13-15-36)18-25(38)33(2)3/h6-11,17H,5,12-15,18H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	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