Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM191781'   

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))	BDBM191781 (US10526329, Compound 27 | US11072611, Compound 27 ...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC(=O)N2CCC(C2)NC(C)=O)CC1 Show InChI InChI=1S/C31H37FN8O2S/c1-4-26-30(36(3)31-35-27(20-43-31)22-5-7-23(32)8-6-22)40-18-25(9-10-28(40)34-26)38-15-13-37(14-16-38)19-29(42)39-12-11-24(17-39)33-21(2)41/h5-10,18,20,24H,4,11-17,19H2,1-3H3,(H,33,41)	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))	BDBM191781 (US10526329, Compound 27 | US11072611, Compound 27 ...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC(=O)N2CCC(C2)NC(C)=O)CC1 Show InChI InChI=1S/C31H37FN8O2S/c1-4-26-30(36(3)31-35-27(20-43-31)22-5-7-23(32)8-6-22)40-18-25(9-10-28(40)34-26)38-15-13-37(14-16-38)19-29(42)39-12-11-24(17-39)33-21(2)41/h5-10,18,20,24H,4,11-17,19H2,1-3H3,(H,33,41)	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))	BDBM191781 (US10526329, Compound 27 | US11072611, Compound 27 ...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC(=O)N2CCC(C2)NC(C)=O)CC1 Show InChI InChI=1S/C31H37FN8O2S/c1-4-26-30(36(3)31-35-27(20-43-31)22-5-7-23(32)8-6-22)40-18-25(9-10-28(40)34-26)38-15-13-37(14-16-38)19-29(42)39-12-11-24(17-39)33-21(2)41/h5-10,18,20,24H,4,11-17,19H2,1-3H3,(H,33,41)	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))	BDBM191781 (US10526329, Compound 27 | US11072611, Compound 27 ...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC(=O)N2CCC(C2)NC(C)=O)CC1 Show InChI InChI=1S/C31H37FN8O2S/c1-4-26-30(36(3)31-35-27(20-43-31)22-5-7-23(32)8-6-22)40-18-25(9-10-28(40)34-26)38-15-13-37(14-16-38)19-29(42)39-12-11-24(17-39)33-21(2)41/h5-10,18,20,24H,4,11-17,19H2,1-3H3,(H,33,41)	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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM191781 (US10526329, Compound 27 | US11072611, Compound 27 ...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC(=O)N2CCC(C2)NC(C)=O)CC1 Show InChI InChI=1S/C31H37FN8O2S/c1-4-26-30(36(3)31-35-27(20-43-31)22-5-7-23(32)8-6-22)40-18-25(9-10-28(40)34-26)38-15-13-37(14-16-38)19-29(42)39-12-11-24(17-39)33-21(2)41/h5-10,18,20,24H,4,11-17,19H2,1-3H3,(H,33,41)	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