Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM191376'   

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))	BDBM191376 (US10526329, Compound 4 | US11072611, Compound 4 | ...) Show SMILES CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC[C@@H](O)C2)CC1 |r| Show InChI InChI=1S/C31H35FN8O2S/c1-4-25-30(36(3)31-35-28(26(16-33)43-31)21-5-7-22(32)8-6-21)40-17-23(15-20(2)29(40)34-25)38-13-11-37(12-14-38)19-27(42)39-10-9-24(41)18-39/h5-8,15,17,24,41H,4,9-14,18-19H2,1-3H3/t24-/m1/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))	BDBM191376 (US10526329, Compound 4 | US11072611, Compound 4 | ...) Show SMILES CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC[C@@H](O)C2)CC1 |r| Show InChI InChI=1S/C31H35FN8O2S/c1-4-25-30(36(3)31-35-28(26(16-33)43-31)21-5-7-22(32)8-6-21)40-17-23(15-20(2)29(40)34-25)38-13-11-37(12-14-38)19-27(42)39-10-9-24(41)18-39/h5-8,15,17,24,41H,4,9-14,18-19H2,1-3H3/t24-/m1/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
TBA					Assay Description TABLE VI: (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using the fluorogenic autotaxin substrate FS-3 as substrate. FS-3 is a doubly l...				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))	BDBM191376 (US10526329, Compound 4 | US11072611, Compound 4 | ...) Show SMILES CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC[C@@H](O)C2)CC1 |r| Show InChI InChI=1S/C31H35FN8O2S/c1-4-25-30(36(3)31-35-28(26(16-33)43-31)21-5-7-22(32)8-6-21)40-17-23(15-20(2)29(40)34-25)38-13-11-37(12-14-38)19-27(42)39-10-9-24(41)18-39/h5-8,15,17,24,41H,4,9-14,18-19H2,1-3H3/t24-/m1/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
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))	BDBM191376 (US10526329, Compound 4 | US11072611, Compound 4 | ...) Show SMILES CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC[C@@H](O)C2)CC1 |r| Show InChI InChI=1S/C31H35FN8O2S/c1-4-25-30(36(3)31-35-28(26(16-33)43-31)21-5-7-22(32)8-6-21)40-17-23(15-20(2)29(40)34-25)38-13-11-37(12-14-38)19-27(42)39-10-9-24(41)18-39/h5-8,15,17,24,41H,4,9-14,18-19H2,1-3H3/t24-/m1/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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM191376 (US10526329, Compound 4 | US11072611, Compound 4 | ...) Show SMILES CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC[C@@H](O)C2)CC1 |r| Show InChI InChI=1S/C31H35FN8O2S/c1-4-25-30(36(3)31-35-28(26(16-33)43-31)21-5-7-22(32)8-6-21)40-17-23(15-20(2)29(40)34-25)38-13-11-37(12-14-38)19-27(42)39-10-9-24(41)18-39/h5-8,15,17,24,41H,4,9-14,18-19H2,1-3H3/t24-/m1/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