Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM191867'   

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))	BDBM191867 (US10526329, Compound 72 | US11072611, Compound 72 ...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(OC(F)(F)F)cc1)C1=CCN(CC1)S(C)(=O)=O |t:33| Show InChI InChI=1S/C26H26F3N5O3S2/c1-4-21-24(32(2)25-31-22(16-38-25)18-5-8-20(9-6-18)37-26(27,28)29)34-15-19(7-10-23(34)30-21)17-11-13-33(14-12-17)39(3,35)36/h5-11,15-16H,4,12-14H2,1-3H3	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))	BDBM191867 (US10526329, Compound 72 | US11072611, Compound 72 ...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(OC(F)(F)F)cc1)C1=CCN(CC1)S(C)(=O)=O |t:33| Show InChI InChI=1S/C26H26F3N5O3S2/c1-4-21-24(32(2)25-31-22(16-38-25)18-5-8-20(9-6-18)37-26(27,28)29)34-15-19(7-10-23(34)30-21)17-11-13-33(14-12-17)39(3,35)36/h5-11,15-16H,4,12-14H2,1-3H3	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))	BDBM191867 (US10526329, Compound 72 | US11072611, Compound 72 ...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(OC(F)(F)F)cc1)C1=CCN(CC1)S(C)(=O)=O |t:33| Show InChI InChI=1S/C26H26F3N5O3S2/c1-4-21-24(32(2)25-31-22(16-38-25)18-5-8-20(9-6-18)37-26(27,28)29)34-15-19(7-10-23(34)30-21)17-11-13-33(14-12-17)39(3,35)36/h5-11,15-16H,4,12-14H2,1-3H3	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