Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM193003'   

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))	BDBM193003 (US10526329, Compound 183 | US11072611, Compound 18...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(Cl)cc1)N1CCNC1=O Show InChI InChI=1S/C22H21ClN6OS/c1-3-17-20(27(2)22-26-18(13-31-22)14-4-6-15(23)7-5-14)29-12-16(8-9-19(29)25-17)28-11-10-24-21(28)30/h4-9,12-13H,3,10-11H2,1-2H3,(H,24,30)	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))	BDBM193003 (US10526329, Compound 183 | US11072611, Compound 18...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(Cl)cc1)N1CCNC1=O Show InChI InChI=1S/C22H21ClN6OS/c1-3-17-20(27(2)22-26-18(13-31-22)14-4-6-15(23)7-5-14)29-12-16(8-9-19(29)25-17)28-11-10-24-21(28)30/h4-9,12-13H,3,10-11H2,1-2H3,(H,24,30)	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))	BDBM193003 (US10526329, Compound 183 | US11072611, Compound 18...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(Cl)cc1)N1CCNC1=O Show InChI InChI=1S/C22H21ClN6OS/c1-3-17-20(27(2)22-26-18(13-31-22)14-4-6-15(23)7-5-14)29-12-16(8-9-19(29)25-17)28-11-10-24-21(28)30/h4-9,12-13H,3,10-11H2,1-2H3,(H,24,30)	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))	BDBM193003 (US10526329, Compound 183 | US11072611, Compound 18...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(Cl)cc1)N1CCNC1=O Show InChI InChI=1S/C22H21ClN6OS/c1-3-17-20(27(2)22-26-18(13-31-22)14-4-6-15(23)7-5-14)29-12-16(8-9-19(29)25-17)28-11-10-24-21(28)30/h4-9,12-13H,3,10-11H2,1-2H3,(H,24,30)	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))	BDBM193003 (US10526329, Compound 183 | US11072611, Compound 18...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(Cl)cc1)N1CCNC1=O Show InChI InChI=1S/C22H21ClN6OS/c1-3-17-20(27(2)22-26-18(13-31-22)14-4-6-15(23)7-5-14)29-12-16(8-9-19(29)25-17)28-11-10-24-21(28)30/h4-9,12-13H,3,10-11H2,1-2H3,(H,24,30)	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