Compile Data Set for Download or QSAR

Found 1266 hits with Last Name = 'brys' and Initial = 'rc'   

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))	BDBM193007 (US10526329, Compound 187 | US11072611, Compound 18...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nccc(n1)-c1ccc(F)cc1)C1=CCN(CC1)S(C)(=O)=O |t:30| Show InChI InChI=1S/C26H27FN6O2S/c1-4-22-25(31(2)26-28-14-11-23(30-26)19-5-8-21(27)9-6-19)33-17-20(7-10-24(33)29-22)18-12-15-32(16-13-18)36(3,34)35/h5-12,14,17H,4,13,15-16H2,1-3H3	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))	BDBM426550 (US10526329, Compound 188 | US11072611, Compound 18...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(ns1)-c1ccc(Cl)cc1)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C23H26ClN7O2S2/c1-4-19-22(28(2)23-26-21(27-34-23)16-5-7-17(24)8-6-16)31-15-18(9-10-20(31)25-19)29-11-13-30(14-12-29)35(3,32)33/h5-10,15H,4,11-14H2,1-3H3	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))	BDBM193009 (US10526329, Compound 189 | US11072611, Compound 18...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(no1)-c1ccc(F)cc1)C1=CCN(CC1)S(C)(=O)=O |t:29| Show InChI InChI=1S/C24H25FN6O3S/c1-4-20-23(29(2)24-27-22(28-34-24)17-5-8-19(25)9-6-17)31-15-18(7-10-21(31)26-20)16-11-13-30(14-12-16)35(3,32)33/h5-11,15H,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))	BDBM193110 (US10526329, Compound 191 | US11072611, Compound 19...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(ns1)-c1ccc(F)cc1)C1CCN(CC(=O)N(C)C)CC1 Show InChI InChI=1S/C27H32FN7OS/c1-5-22-26(33(4)27-30-25(31-37-27)19-6-9-21(28)10-7-19)35-16-20(8-11-23(35)29-22)18-12-14-34(15-13-18)17-24(36)32(2)3/h6-11,16,18H,5,12-15,17H2,1-4H3	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))	BDBM193117 (US10526329, Compound 192 | US11072611, Compound 19...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(Cc2cnc[nH]2)CC1 Show InChI InChI=1S/C27H29FN8S/c1-3-23-26(33(2)27-32-24(17-37-27)19-4-6-20(28)7-5-19)36-16-22(8-9-25(36)31-23)35-12-10-34(11-13-35)15-21-14-29-18-30-21/h4-9,14,16-18H,3,10-13,15H2,1-2H3,(H,29,30)	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))	BDBM193179 (US10526329, Compound 194 | US11072611, Compound 19...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC(=O)NC2CC2)CC1 Show InChI InChI=1S/C29H33FN6OS/c1-3-24-28(34(2)29-33-25(18-38-29)20-4-7-22(30)8-5-20)36-16-21(6-11-26(36)32-24)19-12-14-35(15-13-19)17-27(37)31-23-9-10-23/h4-8,11,16,18-19,23H,3,9-10,12-15,17H2,1-2H3,(H,31,37)	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))	BDBM193296 (US10526329, Compound 200 | US11072611, Compound 20...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC1)C(=O)C(C)=O Show InChI InChI=1S/C26H27FN6O2S/c1-4-21-24(30(3)26-29-22(16-36-26)18-5-7-19(27)8-6-18)33-15-20(9-10-23(33)28-21)31-11-13-32(14-12-31)25(35)17(2)34/h5-10,15-16H,4,11-14H2,1-3H3	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))	BDBM193297 (US10526329, Compound 201 | US11072611, Compound 20...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC1)C(=O)C1CCC(=O)N1 Show InChI InChI=1S/C28H30FN7O2S/c1-3-21-26(33(2)28-32-23(17-39-28)18-4-6-19(29)7-5-18)36-16-20(8-10-24(36)30-21)34-12-14-35(15-13-34)27(38)22-9-11-25(37)31-22/h4-8,10,16-17,22H,3,9,11-15H2,1-2H3,(H,31,37)	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))	BDBM193299 (US10526329, Compound 203 | US11072611, Compound 20...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC1)C(=O)[C@H](C)O |r| Show InChI InChI=1S/C26H29FN6O2S/c1-4-21-24(30(3)26-29-22(16-36-26)18-5-7-19(27)8-6-18)33-15-20(9-10-23(33)28-21)31-11-13-32(14-12-31)25(35)17(2)34/h5-10,15-17,34H,4,11-14H2,1-3H3/t17-/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))	BDBM193300 (US10526329, Compound 204 | US11072611, Compound 20...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC1)C(=O)C(N)=O Show InChI InChI=1S/C25H26FN7O2S/c1-3-19-23(30(2)25-29-20(15-36-25)16-4-6-17(26)7-5-16)33-14-18(8-9-21(33)28-19)31-10-12-32(13-11-31)24(35)22(27)34/h4-9,14-15H,3,10-13H2,1-2H3,(H2,27,34)	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))	BDBM193308 (US10526329, Compound 206 | US11072611, Compound 20...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(Cl)cc1)N1CCOC1=O Show InChI InChI=1S/C22H20ClN5O2S/c1-3-17-20(26(2)21-25-18(13-31-21)14-4-6-15(23)7-5-14)28-12-16(8-9-19(28)24-17)27-10-11-30-22(27)29/h4-9,12-13H,3,10-11H2,1-2H3	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))	BDBM193321 (US10526329, Compound 207 | US11072611, Compound 20...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(Cl)cc1)N1CCCCS1(=O)=O Show InChI InChI=1S/C23H24ClN5O2S2/c1-3-19-22(27(2)23-26-20(15-32-23)16-6-8-17(24)9-7-16)28-14-18(10-11-21(28)25-19)29-12-4-5-13-33(29,30)31/h6-11,14-15H,3-5,12-13H2,1-2H3	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))	BDBM193327 (US11072611, Compound 208 | US9670204, 208 4-(2-eth...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1=CCN(CC1)C(=O)Nc1cccs1 |t:29| Show InChI InChI=1S/C29H27FN6OS2/c1-3-23-27(34(2)29-32-24(18-39-29)20-6-9-22(30)10-7-20)36-17-21(8-11-25(36)31-23)19-12-14-35(15-13-19)28(37)33-26-5-4-16-38-26/h4-12,16-18H,3,13-15H2,1-2H3,(H,33,37)	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	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))	BDBM193331 (US10526329, Compound 210 | US11072611, Compound 21...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(Cl)cc1)C1=CCN(CC1)S(=O)(=O)C(F)(F)F |t:29| Show InChI InChI=1S/C25H23ClF3N5O2S2/c1-3-20-23(32(2)24-31-21(15-37-24)17-4-7-19(26)8-5-17)34-14-18(6-9-22(34)30-20)16-10-12-33(13-11-16)38(35,36)25(27,28)29/h4-10,14-15H,3,11-13H2,1-2H3	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))	BDBM509471 (US11072611, Compound 211) Show SMILES CN(c1nc(cs1)-c1ccc(F)cc1)c1c(C)nc2ccc(cn12)N1CCC(O)CC1 Show InChI	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))	BDBM193333 (US10526329, Compound 212 | US11072611, Compound 21...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(Cl)cc1)N1CCN(CCO)CC1 Show InChI InChI=1S/C25H29ClN6OS/c1-3-21-24(29(2)25-28-22(17-34-25)18-4-6-19(26)7-5-18)32-16-20(8-9-23(32)27-21)31-12-10-30(11-13-31)14-15-33/h4-9,16-17,33H,3,10-15H2,1-2H3	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))	BDBM193335 (US10526329, Compound 213 | US11072611, Compound 21...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(Cl)cc1)N1CCS(=O)(=O)CC1 Show InChI InChI=1S/C23H24ClN5O2S2/c1-3-19-22(27(2)23-26-20(15-32-23)16-4-6-17(24)7-5-16)29-14-18(8-9-21(29)25-19)28-10-12-33(30,31)13-11-28/h4-9,14-15H,3,10-13H2,1-2H3	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))	BDBM193336 (US10526329, Compound 214 | US11072611, Compound 21...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1=CCN(CC1)C(=O)OC(C)(C)C |t:29| Show InChI InChI=1S/C29H32FN5O2S/c1-6-23-26(33(5)27-32-24(18-38-27)20-7-10-22(30)11-8-20)35-17-21(9-12-25(35)31-23)19-13-15-34(16-14-19)28(36)37-29(2,3)4/h7-13,17-18H,6,14-16H2,1-5H3	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))	BDBM193337 (US10526329, Compound 215 | US11072611, Compound 21...) Show SMILES CCC(=O)N1CCC(CC1)c1ccc2nc(CC)c(N(C)c3nc(cs3)-c3ccc(F)cc3)n2c1 Show InChI InChI=1S/C27H30FN5OS/c1-4-22-26(31(3)27-30-23(17-35-27)19-6-9-21(28)10-7-19)33-16-20(8-11-24(33)29-22)18-12-14-32(15-13-18)25(34)5-2/h6-11,16-18H,4-5,12-15H2,1-3H3	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))	BDBM193338 (US10526329, Compound 216 | US11072611, Compound 21...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCNCC1 Show InChI InChI=1S/C24H26FN5S/c1-3-20-23(29(2)24-28-21(15-31-24)17-4-7-19(25)8-5-17)30-14-18(6-9-22(30)27-20)16-10-12-26-13-11-16/h4-9,14-16,26H,3,10-13H2,1-2H3	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))	BDBM193339 (US10526329, Compound 217 | US11072611, Compound 21...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C31H32FN5S/c1-3-27-30(35(2)31-34-28(21-38-31)24-9-12-26(32)13-10-24)37-20-25(11-14-29(37)33-27)23-15-17-36(18-16-23)19-22-7-5-4-6-8-22/h4-14,20-21,23H,3,15-19H2,1-2H3	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))	BDBM193344 (US10526329, Compound 218 | US11072611, Compound 21...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC1)C(C)C Show InChI InChI=1S/C27H32FN5S/c1-5-23-26(31(4)27-30-24(17-34-27)20-6-9-22(28)10-7-20)33-16-21(8-11-25(33)29-23)19-12-14-32(15-13-19)18(2)3/h6-11,16-19H,5,12-15H2,1-4H3	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))	BDBM193346 (US10526329, Compound 219 | US11072611, Compound 21...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC1)C(=O)OC(C)(C)C Show InChI InChI=1S/C29H34FN5O2S/c1-6-23-26(33(5)27-32-24(18-38-27)20-7-10-22(30)11-8-20)35-17-21(9-12-25(35)31-23)19-13-15-34(16-14-19)28(36)37-29(2,3)4/h7-12,17-19H,6,13-16H2,1-5H3	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))	BDBM193356 (US10526329, Compound 220 | US11072611, Compound 22...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1=CCOCC1 |t:29| Show InChI InChI=1S/C24H23FN4OS/c1-3-20-23(28(2)24-27-21(15-31-24)17-4-7-19(25)8-5-17)29-14-18(6-9-22(29)26-20)16-10-12-30-13-11-16/h4-10,14-15H,3,11-13H2,1-2H3	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))	BDBM193357 (US10526329, Compound 221 | US11072611, Compound 22...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(Cl)cc1)C1=CCOCC1 |t:29| Show InChI InChI=1S/C24H23ClN4OS/c1-3-20-23(28(2)24-27-21(15-31-24)17-4-7-19(25)8-5-17)29-14-18(6-9-22(29)26-20)16-10-12-30-13-11-16/h4-10,14-15H,3,11-13H2,1-2H3	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))	BDBM193361 (US10526329, Compound 225 | US11072611, Compound 22...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1O)C1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C25H28FN5O3S2/c1-4-20-24(29(2)25-28-21(15-35-25)19-7-6-18(26)13-22(19)32)31-14-17(5-8-23(31)27-20)16-9-11-30(12-10-16)36(3,33)34/h5-8,13-16,32H,4,9-12H2,1-3H3	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))	BDBM193362 (US11072611, Compound 225 | US9670204, 225 tert-but...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(ns1)-c1ccc(Cl)cc1)N1CCN(CC1)C(=O)OC(C)(C)C Show InChI InChI=1S/C27H32ClN7O2S/c1-6-21-24(32(5)25-30-23(31-38-25)18-7-9-19(28)10-8-18)35-17-20(11-12-22(35)29-21)33-13-15-34(16-14-33)26(36)37-27(2,3)4/h7-12,17H,6,13-16H2,1-5H3	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))	BDBM193363 (US10526329, Compound 226 | US11072611, Compound 22...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(Cc2ncc[nH]2)CC1 Show InChI InChI=1S/C27H29FN8S/c1-3-22-26(33(2)27-32-23(18-37-27)19-4-6-20(28)7-5-19)36-16-21(8-9-25(36)31-22)35-14-12-34(13-15-35)17-24-29-10-11-30-24/h4-11,16,18H,3,12-15,17H2,1-2H3,(H,29,30)	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))	BDBM193364 (US10526329, Compound 227 | US11072611, Compound 22...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C27H29FN6OS/c1-3-22-25(31(2)27-30-23(17-36-27)18-6-8-20(28)9-7-18)34-16-21(10-11-24(34)29-22)32-12-14-33(15-13-32)26(35)19-4-5-19/h6-11,16-17,19H,3-5,12-15H2,1-2H3	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))	BDBM426593 (US10526329, Compound 230 | US11072611, Compound 23...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(Cl)cc1)C1=CCN(CC1)C(=O)OC(C)(C)C |t:29| Show InChI InChI=1S/C29H32ClN5O2S/c1-6-23-26(33(5)27-32-24(18-38-27)20-7-10-22(30)11-8-20)35-17-21(9-12-25(35)31-23)19-13-15-34(16-14-19)28(36)37-29(2,3)4/h7-13,17-18H,6,14-16H2,1-5H3	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))	BDBM426594 (US10526329, Compound 231 | US11072611, Compound 23...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(Cl)cc1)C1=CCSCC1 |t:29| Show InChI InChI=1S/C24H23ClN4S2/c1-3-20-23(28(2)24-27-21(15-31-24)17-4-7-19(25)8-5-17)29-14-18(6-9-22(29)26-20)16-10-12-30-13-11-16/h4-10,14-15H,3,11-13H2,1-2H3	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))	BDBM426595 (US10526329, Compound 232 | US11072611, Compound 23...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCC(F)(F)CC1 Show InChI InChI=1S/C24H24F3N5S/c1-3-19-22(30(2)23-29-20(15-33-23)16-4-6-17(25)7-5-16)32-14-18(8-9-21(32)28-19)31-12-10-24(26,27)11-13-31/h4-9,14-15H,3,10-13H2,1-2H3	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))	BDBM426592 (US10526329, Compound 233 | US11072611, Compound 23...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1=CCN(CC1)S(=O)(=O)CCCCl |t:29| Show InChI InChI=1S/C27H29ClFN5O2S2/c1-3-23-26(32(2)27-31-24(18-37-27)20-5-8-22(29)9-6-20)34-17-21(7-10-25(34)30-23)19-11-14-33(15-12-19)38(35,36)16-4-13-28/h5-11,17-18H,3-4,12-16H2,1-2H3	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))	BDBM426592 (US10526329, Compound 233 | US11072611, Compound 23...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1=CCN(CC1)S(=O)(=O)CCCCl |t:29| Show InChI InChI=1S/C27H29ClFN5O2S2/c1-3-23-26(32(2)27-31-24(18-37-27)20-5-8-22(29)9-6-20)34-17-21(7-10-25(34)30-23)19-11-14-33(15-12-19)38(35,36)16-4-13-28/h5-11,17-18H,3-4,12-16H2,1-2H3	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))	BDBM426597 (US10526329, Compound 235 | US11072611, Compound 23...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC2CCCCC2)CC1 Show InChI InChI=1S/C31H38FN5S/c1-3-27-30(35(2)31-34-28(21-38-31)24-9-12-26(32)13-10-24)37-20-25(11-14-29(37)33-27)23-15-17-36(18-16-23)19-22-7-5-4-6-8-22/h9-14,20-23H,3-8,15-19H2,1-2H3	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))	BDBM426599 (US10526329, Compound 237 | US11072611, Compound 23...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1=NC(C)CO1 |t:29| Show InChI InChI=1S/C23H22FN5OS/c1-4-18-22(28(3)23-27-19(13-31-23)15-5-8-17(24)9-6-15)29-11-16(7-10-20(29)26-18)21-25-14(2)12-30-21/h5-11,13-14H,4,12H2,1-3H3	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))	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))	BDBM509500 (US11072611, Compound Gen-10-e) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCNCC1 Show InChI	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))	BDBM191570 (US10526329, Compound 12 | US11072611, Compound 12 ...) Show SMILES CCc1nc2c(F)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C29H30F2N8O2S/c1-3-23-28(35(2)29-34-26(24(13-32)42-29)18-4-6-19(30)7-5-18)39-14-20(12-22(31)27(39)33-23)37-10-8-36(9-11-37)17-25(41)38-15-21(40)16-38/h4-7,12,14,21,40H,3,8-11,15-17H2,1-2H3	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 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))	BDBM191618 (US10526329, Compound 22 | US11072611, Compound 22 ...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)NC)CC1 Show InChI InChI=1S/C27H29FN8OS/c1-4-21-26(33(3)27-32-25(22(15-29)38-27)18-5-7-19(28)8-6-18)36-16-20(9-10-23(36)31-21)35-13-11-34(12-14-35)17-24(37)30-2/h5-10,16H,4,11-14,17H2,1-3H3,(H,30,37)	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))	BDBM191784 (US10526329, Compound 30 | US11072611, Compound 30 ...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC(=O)N2CCC2)CC1 Show InChI InChI=1S/C28H32FN7OS/c1-3-23-27(32(2)28-31-24(19-38-28)20-5-7-21(29)8-6-20)36-17-22(9-10-25(36)30-23)34-15-13-33(14-16-34)18-26(37)35-11-4-12-35/h5-10,17,19H,3-4,11-16,18H2,1-2H3	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 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))	BDBM191788 (US10526329, Compound 31 | US11072611, Compound 31 ...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC(=O)N2CCCC2)CC1 Show InChI InChI=1S/C29H34FN7OS/c1-3-24-28(33(2)29-32-25(20-39-29)21-6-8-22(30)9-7-21)37-18-23(10-11-26(37)31-24)35-16-14-34(15-17-35)19-27(38)36-12-4-5-13-36/h6-11,18,20H,3-5,12-17,19H2,1-2H3	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 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))	BDBM192189 (US10526329, Compound 86 | US11072611, Compound 86 ...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC1)S(=O)(=O)CCCCl Show InChI InChI=1S/C27H31ClFN5O2S2/c1-3-23-26(32(2)27-31-24(18-37-27)20-5-8-22(29)9-6-20)34-17-21(7-10-25(34)30-23)19-11-14-33(15-12-19)38(35,36)16-4-13-28/h5-10,17-19H,3-4,11-16H2,1-2H3	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))	BDBM192190 (US10526329, Compound 87 | US11072611, Compound 87 ...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC1)S(=O)(=O)CCCN(C)C Show InChI InChI=1S/C29H37FN6O2S2/c1-5-25-28(34(4)29-32-26(20-39-29)22-7-10-24(30)11-8-22)36-19-23(9-12-27(36)31-25)21-13-16-35(17-14-21)40(37,38)18-6-15-33(2)3/h7-12,19-21H,5-6,13-18H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB 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				3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM192192 (US10526329, Compound 88 | US11072611, Compound 88 ...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC1)S(=O)(=O)CCCN1CCOCC1 Show InChI InChI=1S/C31H39FN6O3S2/c1-3-27-30(35(2)31-34-28(22-42-31)24-5-8-26(32)9-6-24)38-21-25(7-10-29(38)33-27)23-11-14-37(15-12-23)43(39,40)20-4-13-36-16-18-41-19-17-36/h5-10,21-23H,3-4,11-20H2,1-2H3	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))	BDBM192212 (US10526329, Compound 89 | US11072611, Compound 89 ...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC1)S(=O)(=O)CCCN1CCCC1 Show InChI InChI=1S/C31H39FN6O2S2/c1-3-27-30(35(2)31-34-28(22-41-31)24-7-10-26(32)11-8-24)38-21-25(9-12-29(38)33-27)23-13-18-37(19-14-23)42(39,40)20-6-17-36-15-4-5-16-36/h7-12,21-23H,3-6,13-20H2,1-2H3	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))	BDBM192214 (US10526329, Compound 90 | US11072611, Compound 90 ...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC1)S(=O)(=O)CCCN Show InChI InChI=1S/C27H33FN6O2S2/c1-3-23-26(32(2)27-31-24(18-37-27)20-5-8-22(28)9-6-20)34-17-21(7-10-25(34)30-23)19-11-14-33(15-12-19)38(35,36)16-4-13-29/h5-10,17-19H,3-4,11-16,29H2,1-2H3	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))	BDBM192215 (US10526329, Compound 91 | US11072611, Compound 91 ...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC1)S(=O)(=O)CCN1CCOCC1 Show InChI InChI=1S/C30H37FN6O3S2/c1-3-26-29(34(2)30-33-27(21-41-30)23-4-7-25(31)8-5-23)37-20-24(6-9-28(37)32-26)22-10-12-36(13-11-22)42(38,39)19-16-35-14-17-40-18-15-35/h4-9,20-22H,3,10-19H2,1-2H3	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))	BDBM192218 (US10526329, Compound 92 | US11072611, Compound 92 ...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC1)S(N)(=O)=O Show InChI InChI=1S/C24H27FN6O2S2/c1-3-20-23(29(2)24-28-21(15-34-24)17-4-7-19(25)8-5-17)31-14-18(6-9-22(31)27-20)16-10-12-30(13-11-16)35(26,32)33/h4-9,14-16H,3,10-13H2,1-2H3,(H2,26,32,33)	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

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