Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM192923'   

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))	BDBM192923 (US10526329, Compound 138 | US11072611, Compound 13...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C(N)=O)-c1ccc(F)cc1)C1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C26H29FN6O3S2/c1-4-20-25(31(2)26-30-22(23(37-26)24(28)34)17-5-8-19(27)9-6-17)33-15-18(7-10-21(33)29-20)16-11-13-32(14-12-16)38(3,35)36/h5-10,15-16H,4,11-14H2,1-3H3,(H2,28,34)	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					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))	BDBM192923 (US10526329, Compound 138 | US11072611, Compound 13...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C(N)=O)-c1ccc(F)cc1)C1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C26H29FN6O3S2/c1-4-20-25(31(2)26-30-22(23(37-26)24(28)34)17-5-8-19(27)9-6-17)33-15-18(7-10-21(33)29-20)16-11-13-32(14-12-16)38(3,35)36/h5-10,15-16H,4,11-14H2,1-3H3,(H2,28,34)	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))	BDBM192923 (US10526329, Compound 138 | US11072611, Compound 13...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C(N)=O)-c1ccc(F)cc1)C1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C26H29FN6O3S2/c1-4-20-25(31(2)26-30-22(23(37-26)24(28)34)17-5-8-19(27)9-6-17)33-15-18(7-10-21(33)29-20)16-11-13-32(14-12-16)38(3,35)36/h5-10,15-16H,4,11-14H2,1-3H3,(H2,28,34)	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))	BDBM192923 (US10526329, Compound 138 | US11072611, Compound 13...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C(N)=O)-c1ccc(F)cc1)C1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C26H29FN6O3S2/c1-4-20-25(31(2)26-30-22(23(37-26)24(28)34)17-5-8-19(27)9-6-17)33-15-18(7-10-21(33)29-20)16-11-13-32(14-12-16)38(3,35)36/h5-10,15-16H,4,11-14H2,1-3H3,(H2,28,34)	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))	BDBM192923 (US10526329, Compound 138 | US11072611, Compound 13...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C(N)=O)-c1ccc(F)cc1)C1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C26H29FN6O3S2/c1-4-20-25(31(2)26-30-22(23(37-26)24(28)34)17-5-8-19(27)9-6-17)33-15-18(7-10-21(33)29-20)16-11-13-32(14-12-16)38(3,35)36/h5-10,15-16H,4,11-14H2,1-3H3,(H2,28,34)	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))	BDBM192923 (US10526329, Compound 138 | US11072611, Compound 13...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C(N)=O)-c1ccc(F)cc1)C1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C26H29FN6O3S2/c1-4-20-25(31(2)26-30-22(23(37-26)24(28)34)17-5-8-19(27)9-6-17)33-15-18(7-10-21(33)29-20)16-11-13-32(14-12-16)38(3,35)36/h5-10,15-16H,4,11-14H2,1-3H3,(H2,28,34)	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))	BDBM192923 (US10526329, Compound 138 | US11072611, Compound 13...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C(N)=O)-c1ccc(F)cc1)C1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C26H29FN6O3S2/c1-4-20-25(31(2)26-30-22(23(37-26)24(28)34)17-5-8-19(27)9-6-17)33-15-18(7-10-21(33)29-20)16-11-13-32(14-12-16)38(3,35)36/h5-10,15-16H,4,11-14H2,1-3H3,(H2,28,34)	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))	BDBM192923 (US10526329, Compound 138 | US11072611, Compound 13...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C(N)=O)-c1ccc(F)cc1)C1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C26H29FN6O3S2/c1-4-20-25(31(2)26-30-22(23(37-26)24(28)34)17-5-8-19(27)9-6-17)33-15-18(7-10-21(33)29-20)16-11-13-32(14-12-16)38(3,35)36/h5-10,15-16H,4,11-14H2,1-3H3,(H2,28,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France. Curated by ChEMBL					Assay Description Inhibition of glycosylated human ATX using LPC 16:0 as substrate after 30 mins by luminescence assay				J Med Chem 60: 7371-7392 (2017) Article DOI: 10.1021/acs.jmedchem.7b00647 BindingDB Entry DOI: 10.7270/Q2R213VZ
					More data for this Ligand-Target Pair