null

SMILES: CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC[C@H](O)C2)CC1

InChI Key: InChIKey=LUOGCZVRNOALIE-DEOSSOPVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 426506   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM426506 (US10526329, Compound 143 | US11072611, Compound 14...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC[C@H](O)C2)CC1 Show InChI InChI=1S/C31H34FN7O2S/c1-3-25-30(36(2)31-35-29(26(16-33)42-31)21-4-7-23(32)8-5-21)39-17-22(6-9-27(39)34-25)20-10-13-37(14-11-20)19-28(41)38-15-12-24(40)18-38/h4-9,17,20,24,40H,3,10-15,18-19H2,1-2H3/t24-/m0/s1	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))	BDBM426506 (US10526329, Compound 143 | US11072611, Compound 14...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC[C@H](O)C2)CC1 Show InChI InChI=1S/C31H34FN7O2S/c1-3-25-30(36(2)31-35-29(26(16-33)42-31)21-4-7-23(32)8-5-21)39-17-22(6-9-27(39)34-25)20-10-13-37(14-11-20)19-28(41)38-15-12-24(40)18-38/h4-9,17,20,24,40H,3,10-15,18-19H2,1-2H3/t24-/m0/s1	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))	BDBM426506 (US10526329, Compound 143 | US11072611, Compound 14...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC[C@H](O)C2)CC1 Show InChI InChI=1S/C31H34FN7O2S/c1-3-25-30(36(2)31-35-29(26(16-33)42-31)21-4-7-23(32)8-5-21)39-17-22(6-9-27(39)34-25)20-10-13-37(14-11-20)19-28(41)38-15-12-24(40)18-38/h4-9,17,20,24,40H,3,10-15,18-19H2,1-2H3/t24-/m0/s1	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 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))	BDBM426506 (US10526329, Compound 143 | US11072611, Compound 14...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC[C@H](O)C2)CC1 Show InChI InChI=1S/C31H34FN7O2S/c1-3-25-30(36(2)31-35-29(26(16-33)42-31)21-4-7-23(32)8-5-21)39-17-22(6-9-27(39)34-25)20-10-13-37(14-11-20)19-28(41)38-15-12-24(40)18-38/h4-9,17,20,24,40H,3,10-15,18-19H2,1-2H3/t24-/m0/s1	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