Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM191777'   

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))	BDBM191777 (US10526329, Compound 25 | US9670204, 25 (S)-2-(4-(...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC[C@H](O)C2)CC1 |r| Show InChI InChI=1S/C29H34FN7O2S/c1-3-24-28(33(2)29-32-25(19-40-29)20-4-6-21(30)7-5-20)37-16-22(8-9-26(37)31-24)35-14-12-34(13-15-35)18-27(39)36-11-10-23(38)17-36/h4-9,16,19,23,38H,3,10-15,17-18H2,1-2H3/t23-/m0/s1	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))	BDBM191777 (US10526329, Compound 25 | US9670204, 25 (S)-2-(4-(...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC[C@H](O)C2)CC1 |r| Show InChI InChI=1S/C29H34FN7O2S/c1-3-24-28(33(2)29-32-25(19-40-29)20-4-6-21(30)7-5-20)37-16-22(8-9-26(37)31-24)35-14-12-34(13-15-35)18-27(39)36-11-10-23(38)17-36/h4-9,16,19,23,38H,3,10-15,17-18H2,1-2H3/t23-/m0/s1	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))	BDBM191777 (US10526329, Compound 25 | US9670204, 25 (S)-2-(4-(...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC[C@H](O)C2)CC1 |r| Show InChI InChI=1S/C29H34FN7O2S/c1-3-24-28(33(2)29-32-25(19-40-29)20-4-6-21(30)7-5-20)37-16-22(8-9-26(37)31-24)35-14-12-34(13-15-35)18-27(39)36-11-10-23(38)17-36/h4-9,16,19,23,38H,3,10-15,17-18H2,1-2H3/t23-/m0/s1	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