Compile Data Set for Download or QSAR

Found 81 hits Enz. Inhib. hit(s) with all data for entry = 11080   

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))	BDBM489343 (Example 10-1 | US10961242, Compound 61 | US1154888...) Show SMILES CCOc1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C25H27N9O2/c1-2-36-24-20(13-34(31-24)15-23(35)33-8-7-21-22(14-33)30-32-29-21)18-11-26-25(27-12-18)28-19-9-16-5-3-4-6-17(16)10-19/h3-6,11-13,19H,2,7-10,14-15H2,1H3,(H,26,27,28)(H,29,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM582922 (Acid | US11548883, Compound 75) Show SMILES OC(=O)c1nn(CC(=O)C2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489369 (Example 12-3 | US10961242, Compound 82 | US1154888...) Show SMILES O=C(Cn1cc(c(CN2CCNC(=O)C2)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C28H31N11O2/c40-26-16-37(8-6-29-26)14-24-22(13-39(35-24)17-27(41)38-7-5-23-25(15-38)34-36-33-23)20-11-30-28(31-12-20)32-21-9-18-3-1-2-4-19(18)10-21/h1-4,11-13,21H,5-10,14-17H2,(H,29,40)(H,30,31,32)(H,33,34,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.56	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489368 (Example 12-2 | US10961242, Compound 81 | US1154888...) Show SMILES O=C(Cn1cc(c(CN2CCCCC2)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C29H34N10O/c40-28(38-11-8-25-27(18-38)34-36-33-25)19-39-16-24(26(35-39)17-37-9-4-1-5-10-37)22-14-30-29(31-15-22)32-23-12-20-6-2-3-7-21(20)13-23/h2-3,6-7,14-16,23H,1,4-5,8-13,17-19H2,(H,30,31,32)(H,33,34,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.56	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489367 (Example 12-1 | US10961242, Compound 80 | US1154888...) Show SMILES O=C(Cn1cc(c(CN2CCOCC2)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C28H32N10O2/c39-27(37-6-5-24-26(17-37)33-35-32-24)18-38-15-23(25(34-38)16-36-7-9-40-10-8-36)21-13-29-28(30-14-21)31-22-11-19-3-1-2-4-20(19)12-22/h1-4,13-15,22H,5-12,16-18H2,(H,29,30,31)(H,32,33,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.56	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489347 (Example 10-5 | US10961242, Compound 65 | US1154888...) Show SMILES Oc1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C23H23N9O2/c33-21(31-6-5-19-20(12-31)28-30-27-19)13-32-11-18(22(34)29-32)16-9-24-23(25-10-16)26-17-7-14-3-1-2-4-15(14)8-17/h1-4,9-11,17H,5-8,12-13H2,(H,29,34)(H,24,25,26)(H,27,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.56	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489366 (Example 11-2 | US10961242, Compound 79 | US1154888...) Show SMILES CCc1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C25H27N9O/c1-2-21-20(13-34(31-21)15-24(35)33-8-7-22-23(14-33)30-32-29-22)18-11-26-25(27-12-18)28-19-9-16-5-3-4-6-17(16)10-19/h3-6,11-13,19H,2,7-10,14-15H2,1H3,(H,26,27,28)(H,29,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489357 (Example 10-14 | US10961242, Compound 74 | US115488...) Show SMILES CN(C)c1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C25H28N10O/c1-33(2)24-20(13-35(31-24)15-23(36)34-8-7-21-22(14-34)30-32-29-21)18-11-26-25(27-12-18)28-19-9-16-5-3-4-6-17(16)10-19/h3-6,11-13,19H,7-10,14-15H2,1-2H3,(H,26,27,28)(H,29,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM582907 (2-(4-{2-[(2,3-dihydro-1H-inden-2-yl)amino]pyrimidi...) Show SMILES C1C(Cc2ccccc12)Nc1ncc(cn1)-c1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489351 (Example 10-8 | US10961242, Compound 68 | US1154888...) Show SMILES CCN1CC(C1)Oc1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C28H32N10O2/c1-2-36-13-22(14-36)40-27-23(15-38(34-27)17-26(39)37-8-7-24-25(16-37)33-35-32-24)20-11-29-28(30-12-20)31-21-9-18-5-3-4-6-19(18)10-21/h3-6,11-12,15,21-22H,2,7-10,13-14,16-17H2,1H3,(H,29,30,31)(H,32,33,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489348 (Example 10-6 | US10961242, Compound 66 | US1154888...) Show SMILES O=C(Cn1cc(c(OCCN2CCOCC2)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C29H34N10O3/c40-27(38-6-5-25-26(18-38)34-36-33-25)19-39-17-24(28(35-39)42-12-9-37-7-10-41-11-8-37)22-15-30-29(31-16-22)32-23-13-20-3-1-2-4-21(20)14-23/h1-4,15-17,23H,5-14,18-19H2,(H,30,31,32)(H,33,34,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489315 (Example 6-1 | US10961242, Compound 33 | US11548883...) Show SMILES O=C(Cc1nnc(o1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C22H21N9O2/c32-20(31-6-5-17-18(12-31)27-30-26-17)9-19-28-29-21(33-19)15-10-23-22(24-11-15)25-16-7-13-3-1-2-4-14(13)8-16/h1-4,10-11,16H,5-9,12H2,(H,23,24,25)(H,26,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489337 (Example 8-2 | US10961242, Compound 57 | US11548883...) Show SMILES O=C(Cn1cc(cn1)-c1cnc(NC2Cc3ccccc3C2)nc1)Nc1ccc2[nH]c(=O)oc2c1 Show InChI InChI=1S/C25H21N7O3/c33-23(29-19-5-6-21-22(9-19)35-25(34)31-21)14-32-13-18(12-28-32)17-10-26-24(27-11-17)30-20-7-15-3-1-2-4-16(15)8-20/h1-6,9-13,20H,7-8,14H2,(H,29,33)(H,31,34)(H,26,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489316 (Example 6-2 | US10961242, Compound 34 | US11548883...) Show SMILES FC(F)(F)Oc1cccc(CNc2ncc(cn2)-c2nnc(CC(=O)N3CCc4[nH]nnc4C3)o2)c1 Show InChI InChI=1S/C21H18F3N9O3/c22-21(23,24)36-14-3-1-2-12(6-14)8-25-20-26-9-13(10-27-20)19-31-30-17(35-19)7-18(34)33-5-4-15-16(11-33)29-32-28-15/h1-3,6,9-10H,4-5,7-8,11H2,(H,25,26,27)(H,28,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489292 (Example 1-2 | US10961242, Compound 2 | US11548883,...) Show SMILES FC(F)(F)Oc1cccc(CNc2ncc(cn2)C(=O)NCCC(=O)N2CCc3[nH]nnc3C2)c1 Show InChI InChI=1S/C21H21F3N8O3/c22-21(23,24)35-15-3-1-2-13(8-15)9-26-20-27-10-14(11-28-20)19(34)25-6-4-18(33)32-7-5-16-17(12-32)30-31-29-16/h1-3,8,10-11H,4-7,9,12H2,(H,25,34)(H,26,27,28)(H,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489386 (Example 12-14 | US10961242, Compound 93 | US115488...) Show SMILES O=C(Cn1cc(c(CCN2CCOCC2)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C29H34N10O2/c40-28(38-8-6-26-27(18-38)34-36-33-26)19-39-17-24(25(35-39)5-7-37-9-11-41-12-10-37)22-15-30-29(31-16-22)32-23-13-20-3-1-2-4-21(20)14-23/h1-4,15-17,23H,5-14,18-19H2,(H,30,31,32)(H,33,34,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489370 (Example 12-4 | US10961242, Compound 83 | US1154888...) Show SMILES O=C(Cn1cc(c(CN2CCc3ccccc23)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C32H32N10O/c43-31(41-12-10-27-29(19-41)37-39-36-27)20-42-17-26(28(38-42)18-40-11-9-21-5-3-4-8-30(21)40)24-15-33-32(34-16-24)35-25-13-22-6-1-2-7-23(22)14-25/h1-8,15-17,25H,9-14,18-20H2,(H,33,34,35)(H,36,37,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489336 (Example 8-1 | US10961242, Compound 56 | US11548883...) Show SMILES O=C(Cn1cc(cn1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C23H23N9O/c33-22(31-6-5-20-21(13-31)29-30-28-20)14-32-12-18(11-26-32)17-9-24-23(25-10-17)27-19-7-15-3-1-2-4-16(15)8-19/h1-4,9-12,19H,5-8,13-14H2,(H,24,25,27)(H,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489372 (Example 12-6 | US10961242, Compound 85 | US1154888...) Show SMILES FC1(F)CCN(Cc2nn(CC(=O)N3CCc4[nH]nnc4C3)cc2-c2cnc(NC3Cc4ccccc4C3)nc2)CC1 Show InChI InChI=1S/C29H32F2N10O/c30-29(31)6-9-39(10-7-29)16-25-23(15-41(37-25)18-27(42)40-8-5-24-26(17-40)36-38-35-24)21-13-32-28(33-14-21)34-22-11-19-3-1-2-4-20(19)12-22/h1-4,13-15,22H,5-12,16-18H2,(H,32,33,34)(H,35,36,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489301 (Example 2-5 | US10961242, Compound 16 | US11548883...) Show SMILES O=C(CCc1ccc2[nH]c(=O)oc2c1)N1CCC(CC1)c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C28H29N5O3/c34-26(8-6-18-5-7-24-25(13-18)36-28(35)32-24)33-11-9-19(10-12-33)22-16-29-27(30-17-22)31-23-14-20-3-1-2-4-21(20)15-23/h1-5,7,13,16-17,19,23H,6,8-12,14-15H2,(H,32,35)(H,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489387 (Example 13 | US10961242, Compound 94 | US11548883,...) Show SMILES CCc1nn(CC(=O)N2CCN(CC2)C(=O)CO)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C26H31N7O3/c1-2-23-22(15-33(30-23)16-24(35)31-7-9-32(10-8-31)25(36)17-34)20-13-27-26(28-14-20)29-21-11-18-5-3-4-6-19(18)12-21/h3-6,13-15,21,34H,2,7-12,16-17H2,1H3,(H,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489353 (Example 10-10 | US10961242, Compound 70 | US115488...) Show SMILES CCN1CCC(CC1)Oc1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C30H36N10O2/c1-2-38-10-7-24(8-11-38)42-29-25(17-40(36-29)19-28(41)39-12-9-26-27(18-39)35-37-34-26)22-15-31-30(32-16-22)33-23-13-20-5-3-4-6-21(20)14-23/h3-6,15-17,23-24H,2,7-14,18-19H2,1H3,(H,31,32,33)(H,34,35,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489385 (Example 12-13 | US10961242, Compound 92 | US115488...) Show SMILES FC(F)CN1CCN(Cc2nn(CC(=O)N3CCc4[nH]nnc4C3)cc2-c2cnc(NC3Cc4ccccc4C3)nc2)CC1 Show InChI InChI=1S/C30H35F2N11O/c31-28(32)18-41-9-7-40(8-10-41)16-26-24(15-43(38-26)19-29(44)42-6-5-25-27(17-42)37-39-36-25)22-13-33-30(34-14-22)35-23-11-20-3-1-2-4-21(20)12-23/h1-4,13-15,23,28H,5-12,16-19H2,(H,33,34,35)(H,36,37,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489384 (Example 12-12 | US10961242, Compound 91 | US115488...) Show SMILES CCN1CCN(Cc2nn(CC(=O)N3CCc4[nH]nnc4C3)cc2-c2cnc(NC3Cc4ccccc4C3)nc2)CC1 Show InChI InChI=1S/C30H37N11O/c1-2-38-9-11-39(12-10-38)18-27-25(17-41(36-27)20-29(42)40-8-7-26-28(19-40)35-37-34-26)23-15-31-30(32-16-23)33-24-13-21-5-3-4-6-22(21)14-24/h3-6,15-17,24H,2,7-14,18-20H2,1H3,(H,31,32,33)(H,34,35,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489315 (Example 6-1 | US10961242, Compound 33 | US11548883...) Show SMILES O=C(Cc1nnc(o1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C22H21N9O2/c32-20(31-6-5-17-18(12-31)27-30-26-17)9-19-28-29-21(33-19)15-10-23-22(24-11-15)25-16-7-13-3-1-2-4-14(13)8-16/h1-4,10-11,16H,5-9,12H2,(H,23,24,25)(H,26,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489344 (2-[3-(azetidin-3-yloxy)-4-{2-[(2,3-dihydro-1H-inde...) Show SMILES O=C(Cn1cc(c(OC2CNC2)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C26H28N10O2/c37-24(35-6-5-22-23(14-35)32-34-31-22)15-36-13-21(25(33-36)38-20-11-27-12-20)18-9-28-26(29-10-18)30-19-7-16-3-1-2-4-17(16)8-19/h1-4,9-10,13,19-20,27H,5-8,11-12,14-15H2,(H,28,29,30)(H,31,32,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489300 (Example 2-3 | US10961242, Compound 14 | US11548883...) Show SMILES O=C(CCN1CCc2[nH]nnc2C1)N1CCC(CC1)c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C26H32N8O/c35-25(8-10-33-9-7-23-24(17-33)31-32-30-23)34-11-5-18(6-12-34)21-15-27-26(28-16-21)29-22-13-19-3-1-2-4-20(19)14-22/h1-4,15-16,18,22H,5-14,17H2,(H,27,28,29)(H,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489364 (Example 11-1 | US10961242, Compound 78 | US1154888...) Show SMILES CCc1c(cnn1CC(=O)N1CCc2[nH]nnc2C1)-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C25H27N9O/c1-2-23-20(13-28-34(23)15-24(35)33-8-7-21-22(14-33)31-32-30-21)18-11-26-25(27-12-18)29-19-9-16-5-3-4-6-17(16)10-19/h3-6,11-13,19H,2,7-10,14-15H2,1H3,(H,26,27,29)(H,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489317 (Example 6-3 | US10961242, Compound 35 | US11548883...) Show SMILES Clc1cccc(c1)C1=CCC(CC1)Nc1ncc(cn1)-c1nnc(CC(=O)N2CCc3[nH]nnc3C2)o1 |t:8| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489310 (Example 5-2 | US10961242, Compound 27 | US11548883...) Show SMILES O=C(CN1CCN(CC1)c1cnc(NC2Cc3ccccc3C2)nc1)Nc1ccc2[nH]c(=O)oc2c1 Show InChI InChI=1S/C26H27N7O3/c34-24(29-19-5-6-22-23(13-19)36-26(35)31-22)16-32-7-9-33(10-8-32)21-14-27-25(28-15-21)30-20-11-17-3-1-2-4-18(17)12-20/h1-6,13-15,20H,7-12,16H2,(H,29,34)(H,31,35)(H,27,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM582898 (2-(3-{2-[(2,3-dihydro-1H-inden-2-yl)amino]pyrimidi...) Show SMILES O=C(C[N]1=CC(=NO1)c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 |c:5,t:3| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489305 (Example 4-1 | US10961242, Compound 20 | US11548883...) Show SMILES O=C(CN1CCN(CC1)c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C24H29N9O/c34-23(33-6-5-21-22(15-33)29-30-28-21)16-31-7-9-32(10-8-31)20-13-25-24(26-14-20)27-19-11-17-3-1-2-4-18(17)12-19/h1-4,13-14,19H,5-12,15-16H2,(H,25,26,27)(H,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489383 (Example 12-11 | US10961242, Compound 90 | US115488...) Show SMILES O=C(Cn1cc(c(CN2CCCNCC2)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C29H35N11O/c41-28(39-10-6-25-27(18-39)35-37-34-25)19-40-16-24(26(36-40)17-38-9-3-7-30-8-11-38)22-14-31-29(32-15-22)33-23-12-20-4-1-2-5-21(20)13-23/h1-2,4-5,14-16,23,30H,3,6-13,17-19H2,(H,31,32,33)(H,34,35,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM582846 (N-{[(5S)-2-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol...) Show SMILES FC(F)(F)Cc1cccc(CNc2ncc(cn2)C(=O)NC[C@H]2CN(C(=O)O2)c2ccc3[nH]c(=O)oc3c2)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489371 (Example 12-5 | US10961242, Compound 84 | US1154888...) Show SMILES O=C(Cn1cc(c(CN2CCc3ccccc3C2)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C33H34N10O/c44-32(42-12-10-29-31(20-42)38-40-37-29)21-43-18-28(30(39-43)19-41-11-9-22-5-1-4-8-25(22)17-41)26-15-34-33(35-16-26)36-27-13-23-6-2-3-7-24(23)14-27/h1-8,15-16,18,27H,9-14,17,19-21H2,(H,34,35,36)(H,37,38,40)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489335 (Example 7-5 | US10961242, Compound 55 | US11548883...) Show SMILES FC(F)(F)Oc1cccc(CNc2ncc(cn2)-c2cn(CC(=O)N3CCc4[nH]nnc4C3)nn2)c1 Show InChI InChI=1S/C21H19F3N10O2/c22-21(23,24)36-15-3-1-2-13(6-15)7-25-20-26-8-14(9-27-20)17-11-34(32-30-17)12-19(35)33-5-4-16-18(10-33)29-31-28-16/h1-3,6,8-9,11H,4-5,7,10,12H2,(H,25,26,27)(H,28,29,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489314 (Example 5-7 | US10961242, Compound 32 | US11548883...) Show SMILES O=C(NCCN1CCN(CC1)c1cnc(NC2Cc3ccccc3C2)nc1)c1ccc2[nH]c(=O)oc2c1 Show InChI InChI=1S/C27H29N7O3/c35-25(20-5-6-23-24(15-20)37-27(36)32-23)28-7-8-33-9-11-34(12-10-33)22-16-29-26(30-17-22)31-21-13-18-3-1-2-4-19(18)14-21/h1-6,15-17,21H,7-14H2,(H,28,35)(H,32,36)(H,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489318 (Example 6-4 | US10961242, Compound 36 | US11548883...) Show SMILES O=C(Cc1nnc(o1)-c1ccc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C23H22N8O2/c32-22(31-8-7-18-19(13-31)27-30-26-18)11-21-28-29-23(33-21)16-5-6-20(24-12-16)25-17-9-14-3-1-2-4-15(14)10-17/h1-6,12,17H,7-11,13H2,(H,24,25)(H,26,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489307 (Example 4-3 | US10961242, Compound 22 | US11548883...) Show SMILES O=C(CN1CCC(CC1)c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C25H30N8O/c34-24(33-10-7-22-23(15-33)30-31-29-22)16-32-8-5-17(6-9-32)20-13-26-25(27-14-20)28-21-11-18-3-1-2-4-19(18)12-21/h1-4,13-14,17,21H,5-12,15-16H2,(H,26,27,28)(H,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489378 (Example 12-7 | US10961242, Compound 86 | US1154888...) Show SMILES O=C(Cn1cc(c(CN2CCC(=CC2)c2ccccc2)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 |c:11| Show InChI InChI=1S/C35H36N10O/c46-34(44-15-12-31-33(22-44)40-42-39-31)23-45-20-30(32(41-45)21-43-13-10-25(11-14-43)24-6-2-1-3-7-24)28-18-36-35(37-19-28)38-29-16-26-8-4-5-9-27(26)17-29/h1-10,18-20,29H,11-17,21-23H2,(H,36,37,38)(H,39,40,42)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489346 (Example 10-4 | US10961242, Compound 64 | US1154888...) Show SMILES O=C(Cn1cc(c(OCc2ccccc2)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCOCC1 Show InChI InChI=1S/C29H30N6O3/c36-27(34-10-12-37-13-11-34)19-35-18-26(28(33-35)38-20-21-6-2-1-3-7-21)24-16-30-29(31-17-24)32-25-14-22-8-4-5-9-23(22)15-25/h1-9,16-18,25H,10-15,19-20H2,(H,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489361 (Example 10-16 | US10961242, Compound 76 | US115488...) Show SMILES O=C(Cn1cc(c(n1)C(=O)N1CCCCC1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C29H32N10O2/c40-26(38-11-8-24-25(17-38)34-36-33-24)18-39-16-23(27(35-39)28(41)37-9-4-1-5-10-37)21-14-30-29(31-15-21)32-22-12-19-6-2-3-7-20(19)13-22/h2-3,6-7,14-16,22H,1,4-5,8-13,17-18H2,(H,30,31,32)(H,33,34,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489304 (Example 3-3 | US10961242, Compound 19 | US11548883...) Show SMILES CC(C)(CN1CCc2[nH]nnc2C1)C(=O)N1CCN(CC1)c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C27H35N9O/c1-27(2,18-34-8-7-23-24(17-34)32-33-31-23)25(37)36-11-9-35(10-12-36)22-15-28-26(29-16-22)30-21-13-19-5-3-4-6-20(19)14-21/h3-6,15-16,21H,7-14,17-18H2,1-2H3,(H,28,29,30)(H,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489311 (Example 5-3 | US10961242, Compound 28 | US11548883...) Show SMILES O=C(CN1CCN(CC1)c1cnc(NC2Cc3ccccc3C2)nc1)c1ccc2[nH]c(=O)oc2c1 Show InChI InChI=1S/C26H26N6O3/c33-23(19-5-6-22-24(13-19)35-26(34)30-22)16-31-7-9-32(10-8-31)21-14-27-25(28-15-21)29-20-11-17-3-1-2-4-18(17)12-20/h1-6,13-15,20H,7-12,16H2,(H,30,34)(H,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489332 ( 2-(5-{2-[(2,3-dihydro-1H-inden-2-yl)amino]pyrimid...) Show SMILES O=C(Cn1ccc(n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C23H23N9O/c33-22(31-7-5-20-21(13-31)28-30-27-20)14-32-8-6-19(29-32)17-11-24-23(25-12-17)26-18-9-15-3-1-2-4-16(15)10-18/h1-4,6,8,11-12,18H,5,7,9-10,13-14H2,(H,24,25,26)(H,27,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489380 (Example 12-8 | US10961242, Compound 87 | US1154888...) Show SMILES CN1CCN(Cc2nn(CC(=O)N3CCc4[nH]nnc4C3)cc2-c2cnc(NC3Cc4ccccc4C3)nc2)CC1=O Show InChI InChI=1S/C29H33N11O2/c1-37-8-9-38(17-27(37)41)15-25-23(14-40(35-25)18-28(42)39-7-6-24-26(16-39)34-36-33-24)21-12-30-29(31-13-21)32-22-10-19-4-2-3-5-20(19)11-22/h2-5,12-14,22H,6-11,15-18H2,1H3,(H,30,31,32)(H,33,34,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489298 (Example 2-1 | US10961242, Compound 12 | US11548883...) Show SMILES O=C(CCN1CCc2[nH]nnc2C1)N1CCN(CC1)c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C25H31N9O/c35-24(6-8-32-7-5-22-23(17-32)30-31-29-22)34-11-9-33(10-12-34)21-15-26-25(27-16-21)28-20-13-18-3-1-2-4-19(18)14-20/h1-4,15-16,20H,5-14,17H2,(H,26,27,28)(H,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489291 (Example 1-1 | US10961242, Compound 1 | US11548883,...) Show SMILES O=C(CCNC(=O)c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C22H24N8O2/c31-20(30-8-6-18-19(13-30)28-29-27-18)5-7-23-21(32)16-11-24-22(25-12-16)26-17-9-14-3-1-2-4-15(14)10-17/h1-4,11-12,17H,5-10,13H2,(H,23,32)(H,24,25,26)(H,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489355 (Example 10-12 | US10961242, Compound 72 | US115488...) Show SMILES OC(=O)c1ccc(COc2nn(CC(=O)N3CCc4[nH]nnc4C3)cc2-c2cnc(NC3Cc4ccccc4C3)nc2)cc1 Show InChI InChI=1S/C31H29N9O4/c41-28(39-10-9-26-27(16-39)36-38-35-26)17-40-15-25(29(37-40)44-18-19-5-7-20(8-6-19)30(42)43)23-13-32-31(33-14-23)34-24-11-21-3-1-2-4-22(21)12-24/h1-8,13-15,24H,9-12,16-18H2,(H,42,43)(H,32,33,34)(H,35,36,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489302 (Example 3-1 | US10961242, Compound 17 | US11548883...) Show SMILES O=C(CN1CCc2[nH]nnc2C1)N1CCN(CC1)c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C24H29N9O/c34-23(16-31-6-5-21-22(15-31)29-30-28-21)33-9-7-32(8-10-33)20-13-25-24(26-14-20)27-19-11-17-3-1-2-4-18(17)12-19/h1-4,13-14,19H,5-12,15-16H2,(H,25,26,27)(H,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair

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