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SMILES: CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(Cl)cc1)C1=CCN(CC1)S(C)(=O)=O

InChI Key: InChIKey=HAPNIGCORXRNGZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 193328   

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))	BDBM193328 (US10526329, Compound 209 | US11072611, Compound 20...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(Cl)cc1)C1=CCN(CC1)S(C)(=O)=O |t:29| Show InChI InChI=1S/C25H26ClN5O2S2/c1-4-21-24(29(2)25-28-22(16-34-25)18-5-8-20(26)9-6-18)31-15-19(7-10-23(31)27-21)17-11-13-30(14-12-17)35(3,32)33/h5-11,15-16H,4,12-14H2,1-3H3	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))	BDBM193328 (US10526329, Compound 209 | US11072611, Compound 20...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(Cl)cc1)C1=CCN(CC1)S(C)(=O)=O |t:29| Show InChI InChI=1S/C25H26ClN5O2S2/c1-4-21-24(29(2)25-28-22(16-34-25)18-5-8-20(26)9-6-18)31-15-19(7-10-23(31)27-21)17-11-13-30(14-12-17)35(3,32)33/h5-11,15-16H,4,12-14H2,1-3H3	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))	BDBM193328 (US10526329, Compound 209 | US11072611, Compound 20...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(Cl)cc1)C1=CCN(CC1)S(C)(=O)=O |t:29| Show InChI InChI=1S/C25H26ClN5O2S2/c1-4-21-24(29(2)25-28-22(16-34-25)18-5-8-20(26)9-6-18)31-15-19(7-10-23(31)27-21)17-11-13-30(14-12-17)35(3,32)33/h5-11,15-16H,4,12-14H2,1-3H3	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))	BDBM193328 (US10526329, Compound 209 | US11072611, Compound 20...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(Cl)cc1)C1=CCN(CC1)S(C)(=O)=O |t:29| Show InChI InChI=1S/C25H26ClN5O2S2/c1-4-21-24(29(2)25-28-22(16-34-25)18-5-8-20(26)9-6-18)31-15-19(7-10-23(31)27-21)17-11-13-30(14-12-17)35(3,32)33/h5-11,15-16H,4,12-14H2,1-3H3	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))	BDBM193328 (US10526329, Compound 209 | US11072611, Compound 20...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(Cl)cc1)C1=CCN(CC1)S(C)(=O)=O |t:29| Show InChI InChI=1S/C25H26ClN5O2S2/c1-4-21-24(29(2)25-28-22(16-34-25)18-5-8-20(26)9-6-18)31-15-19(7-10-23(31)27-21)17-11-13-30(14-12-17)35(3,32)33/h5-11,15-16H,4,12-14H2,1-3H3	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