Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM193004'   

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))	BDBM193004 (US10526329, Compound 184 | US11072611, Compound 18...) Show SMILES CCOC(=O)CN1CCN(C1=O)c1ccc2nc(CC)c(N(C)c3nc(cs3)-c3ccc(Cl)cc3)n2c1 Show InChI InChI=1S/C26H27ClN6O3S/c1-4-20-24(30(3)25-29-21(16-37-25)17-6-8-18(27)9-7-17)33-14-19(10-11-22(33)28-20)32-13-12-31(26(32)35)15-23(34)36-5-2/h6-11,14,16H,4-5,12-13,15H2,1-3H3	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))	BDBM193004 (US10526329, Compound 184 | US11072611, Compound 18...) Show SMILES CCOC(=O)CN1CCN(C1=O)c1ccc2nc(CC)c(N(C)c3nc(cs3)-c3ccc(Cl)cc3)n2c1 Show InChI InChI=1S/C26H27ClN6O3S/c1-4-20-24(30(3)25-29-21(16-37-25)17-6-8-18(27)9-7-17)33-14-19(10-11-22(33)28-20)32-13-12-31(26(32)35)15-23(34)36-5-2/h6-11,14,16H,4-5,12-13,15H2,1-3H3	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))	BDBM193004 (US10526329, Compound 184 | US11072611, Compound 18...) Show SMILES CCOC(=O)CN1CCN(C1=O)c1ccc2nc(CC)c(N(C)c3nc(cs3)-c3ccc(Cl)cc3)n2c1 Show InChI InChI=1S/C26H27ClN6O3S/c1-4-20-24(30(3)25-29-21(16-37-25)17-6-8-18(27)9-7-17)33-14-19(10-11-22(33)28-20)32-13-12-31(26(32)35)15-23(34)36-5-2/h6-11,14,16H,4-5,12-13,15H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	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))	BDBM193004 (US10526329, Compound 184 | US11072611, Compound 18...) Show SMILES CCOC(=O)CN1CCN(C1=O)c1ccc2nc(CC)c(N(C)c3nc(cs3)-c3ccc(Cl)cc3)n2c1 Show InChI InChI=1S/C26H27ClN6O3S/c1-4-20-24(30(3)25-29-21(16-37-25)17-6-8-18(27)9-7-17)33-14-19(10-11-22(33)28-20)32-13-12-31(26(32)35)15-23(34)36-5-2/h6-11,14,16H,4-5,12-13,15H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	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))	BDBM193004 (US10526329, Compound 184 | US11072611, Compound 18...) Show SMILES CCOC(=O)CN1CCN(C1=O)c1ccc2nc(CC)c(N(C)c3nc(cs3)-c3ccc(Cl)cc3)n2c1 Show InChI InChI=1S/C26H27ClN6O3S/c1-4-20-24(30(3)25-29-21(16-37-25)17-6-8-18(27)9-7-17)33-14-19(10-11-22(33)28-20)32-13-12-31(26(32)35)15-23(34)36-5-2/h6-11,14,16H,4-5,12-13,15H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	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