null

SMILES: CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1=NC(CO)CO1

InChI Key: InChIKey=LZLYKNYLKYQYJN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 193378   

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))	BDBM193378 (US10526329, Compound 239 | US11072611, Compound 23...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1=NC(CO)CO1 |t:29| Show InChI InChI=1S/C23H22FN5O2S/c1-3-18-22(28(2)23-27-19(13-32-23)14-4-7-16(24)8-5-14)29-10-15(6-9-20(29)26-18)21-25-17(11-30)12-31-21/h4-10,13,17,30H,3,11-12H2,1-2H3	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))	BDBM193378 (US10526329, Compound 239 | US11072611, Compound 23...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1=NC(CO)CO1 |t:29| Show InChI InChI=1S/C23H22FN5O2S/c1-3-18-22(28(2)23-27-19(13-32-23)14-4-7-16(24)8-5-14)29-10-15(6-9-20(29)26-18)21-25-17(11-30)12-31-21/h4-10,13,17,30H,3,11-12H2,1-2H3	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))	BDBM193378 (US10526329, Compound 239 | US11072611, Compound 23...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1=NC(CO)CO1 |t:29| Show InChI InChI=1S/C23H22FN5O2S/c1-3-18-22(28(2)23-27-19(13-32-23)14-4-7-16(24)8-5-14)29-10-15(6-9-20(29)26-18)21-25-17(11-30)12-31-21/h4-10,13,17,30H,3,11-12H2,1-2H3	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))	BDBM193378 (US10526329, Compound 239 | US11072611, Compound 23...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1=NC(CO)CO1 |t:29| Show InChI InChI=1S/C23H22FN5O2S/c1-3-18-22(28(2)23-27-19(13-32-23)14-4-7-16(24)8-5-14)29-10-15(6-9-20(29)26-18)21-25-17(11-30)12-31-21/h4-10,13,17,30H,3,11-12H2,1-2H3	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))	BDBM193378 (US10526329, Compound 239 | US11072611, Compound 23...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1=NC(CO)CO1 |t:29| Show InChI InChI=1S/C23H22FN5O2S/c1-3-18-22(28(2)23-27-19(13-32-23)14-4-7-16(24)8-5-14)29-10-15(6-9-20(29)26-18)21-25-17(11-30)12-31-21/h4-10,13,17,30H,3,11-12H2,1-2H3	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