Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM193327'   

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))	BDBM193327 (US11072611, Compound 208 | US9670204, 208 4-(2-eth...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1=CCN(CC1)C(=O)Nc1cccs1 |t:29| Show InChI InChI=1S/C29H27FN6OS2/c1-3-23-27(34(2)29-32-24(18-39-29)20-6-9-22(30)10-7-20)36-17-21(8-11-25(36)31-23)19-12-14-35(15-13-19)28(37)33-26-5-4-16-38-26/h4-12,16-18H,3,13-15H2,1-2H3,(H,33,37)	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))	BDBM193327 (US11072611, Compound 208 | US9670204, 208 4-(2-eth...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1=CCN(CC1)C(=O)Nc1cccs1 |t:29| Show InChI InChI=1S/C29H27FN6OS2/c1-3-23-27(34(2)29-32-24(18-39-29)20-6-9-22(30)10-7-20)36-17-21(8-11-25(36)31-23)19-12-14-35(15-13-19)28(37)33-26-5-4-16-38-26/h4-12,16-18H,3,13-15H2,1-2H3,(H,33,37)	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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM193327 (US11072611, Compound 208 | US9670204, 208 4-(2-eth...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1=CCN(CC1)C(=O)Nc1cccs1 |t:29| Show InChI InChI=1S/C29H27FN6OS2/c1-3-23-27(34(2)29-32-24(18-39-29)20-6-9-22(30)10-7-20)36-17-21(8-11-25(36)31-23)19-12-14-35(15-13-19)28(37)33-26-5-4-16-38-26/h4-12,16-18H,3,13-15H2,1-2H3,(H,33,37)	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