Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM191794'   

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))	BDBM191794 (US10526329, Compound 36 | US11072611, Compound 36 ...) Show SMILES CCOC(=O)CN1CCN(CC1)c1ccc2nc(CC)c(N(C)c3nc(cs3)-c3ccc(F)cc3)n2c1 Show InChI InChI=1S/C27H31FN6O2S/c1-4-22-26(31(3)27-30-23(18-37-27)19-6-8-20(28)9-7-19)34-16-21(10-11-24(34)29-22)33-14-12-32(13-15-33)17-25(35)36-5-2/h6-11,16,18H,4-5,12-15,17H2,1-3H3	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))	BDBM191794 (US10526329, Compound 36 | US11072611, Compound 36 ...) Show SMILES CCOC(=O)CN1CCN(CC1)c1ccc2nc(CC)c(N(C)c3nc(cs3)-c3ccc(F)cc3)n2c1 Show InChI InChI=1S/C27H31FN6O2S/c1-4-22-26(31(3)27-30-23(18-37-27)19-6-8-20(28)9-7-19)34-16-21(10-11-24(34)29-22)33-14-12-32(13-15-33)17-25(35)36-5-2/h6-11,16,18H,4-5,12-15,17H2,1-3H3	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))	BDBM191794 (US10526329, Compound 36 | US11072611, Compound 36 ...) Show SMILES CCOC(=O)CN1CCN(CC1)c1ccc2nc(CC)c(N(C)c3nc(cs3)-c3ccc(F)cc3)n2c1 Show InChI InChI=1S/C27H31FN6O2S/c1-4-22-26(31(3)27-30-23(18-37-27)19-6-8-20(28)9-7-19)34-16-21(10-11-24(34)29-22)33-14-12-32(13-15-33)17-25(35)36-5-2/h6-11,16,18H,4-5,12-15,17H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM191794 (US10526329, Compound 36 | US11072611, Compound 36 ...) Show SMILES CCOC(=O)CN1CCN(CC1)c1ccc2nc(CC)c(N(C)c3nc(cs3)-c3ccc(F)cc3)n2c1 Show InChI InChI=1S/C27H31FN6O2S/c1-4-22-26(31(3)27-30-23(18-37-27)19-6-8-20(28)9-7-19)34-16-21(10-11-24(34)29-22)33-14-12-32(13-15-33)17-25(35)36-5-2/h6-11,16,18H,4-5,12-15,17H2,1-3H3	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))	BDBM191794 (US10526329, Compound 36 | US11072611, Compound 36 ...) Show SMILES CCOC(=O)CN1CCN(CC1)c1ccc2nc(CC)c(N(C)c3nc(cs3)-c3ccc(F)cc3)n2c1 Show InChI InChI=1S/C27H31FN6O2S/c1-4-22-26(31(3)27-30-23(18-37-27)19-6-8-20(28)9-7-19)34-16-21(10-11-24(34)29-22)33-14-12-32(13-15-33)17-25(35)36-5-2/h6-11,16,18H,4-5,12-15,17H2,1-3H3	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))	BDBM191794 (US10526329, Compound 36 | US11072611, Compound 36 ...) Show SMILES CCOC(=O)CN1CCN(CC1)c1ccc2nc(CC)c(N(C)c3nc(cs3)-c3ccc(F)cc3)n2c1 Show InChI InChI=1S/C27H31FN6O2S/c1-4-22-26(31(3)27-30-23(18-37-27)19-6-8-20(28)9-7-19)34-16-21(10-11-24(34)29-22)33-14-12-32(13-15-33)17-25(35)36-5-2/h6-11,16,18H,4-5,12-15,17H2,1-3H3	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