Compile Data Set for Download or QSAR

Found 40 hits with Last Name = 'guillon' and Initial = 'r'   

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
Cytosolic purine 5'-nucleotidase (Homo sapiens)	BDBM50500514 (CHEMBL3746819) Show SMILES O=C(Nc1ncnc2[nH]cnc12)c1ccccc1-c1ccc(cc1)-n1cccc1 Show InChI InChI=1S/C22H16N6O/c29-22(27-21-19-20(24-13-23-19)25-14-26-21)18-6-2-1-5-17(18)15-7-9-16(10-8-15)28-11-3-4-12-28/h1-14H,(H2,23,24,25,26,27,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	4.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Non-competitive inhibition of recombinant N-terminal truncated human cytosolic 5'-nucleotidase-2 assessed as inhibition of inosine 5'-monophosphate h...				J Med Chem 58: 9680-96 (2015) Article DOI: 10.1021/acs.jmedchem.5b01616 BindingDB Entry DOI: 10.7270/Q2SF3062
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM68391 ((2R,3S,4S,5R)-2-(6-amino-2-fluoro-9-purinyl)-5-(hy...) Show SMILES Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6+,9-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Competitive type of inhibition of human 5'-nucleotidase using IMP as substrate assessed as inhibitor constant for free enzyme by Lineweaver-Burk plot...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50522285 (CHEMBL4549109) Show SMILES CCOP([O-])(=O)Cn1cnc(c1)-c1cccc(c1)-c1cccc(c1)C(=O)Nc1ncnc2nc[nH]c12 Show InChI InChI=1S/C24H22N7O4P/c1-2-35-36(33,34)15-31-11-20(29-14-31)18-7-3-5-16(9-18)17-6-4-8-19(10-17)24(32)30-23-21-22(26-12-25-21)27-13-28-23/h3-14H,2,15H2,1H3,(H,33,34)(H2,25,26,27,28,30,32)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.36E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant cN-II (unknown origin) assessed as inhibitor constant for free enzyme using varying level of IMP as substrate by...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50522285 (CHEMBL4549109) Show SMILES CCOP([O-])(=O)Cn1cnc(c1)-c1cccc(c1)-c1cccc(c1)C(=O)Nc1ncnc2nc[nH]c12 Show InChI InChI=1S/C24H22N7O4P/c1-2-35-36(33,34)15-31-11-20(29-14-31)18-7-3-5-16(9-18)17-6-4-8-19(10-17)24(32)30-23-21-22(26-12-25-21)27-13-28-23/h3-14H,2,15H2,1H3,(H,33,34)(H2,25,26,27,28,30,32)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.82E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Competitive inhibition of recombinant cN-II (unknown origin) using varying level of IMP as substrate by HPLC method based Lineweaver-Burk plot analys...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
Cytosolic purine 5'-nucleotidase (Homo sapiens)	BDBM50500511 (CHEMBL3746624) Show SMILES O=C(Nc1ncnc2[nH]cnc12)c1cccc(c1)-c1cccc(c1)-n1cccc1 Show InChI InChI=1S/C22H16N6O/c29-22(27-21-19-20(24-13-23-19)25-14-26-21)17-7-3-5-15(11-17)16-6-4-8-18(12-16)28-9-1-2-10-28/h1-14H,(H2,23,24,25,26,27,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	7.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Non-competitive inhibition of recombinant N-terminal truncated human cytosolic 5'-nucleotidase-2 assessed as inhibition of inosine 5'-monophosphate h...				J Med Chem 58: 9680-96 (2015) Article DOI: 10.1021/acs.jmedchem.5b01616 BindingDB Entry DOI: 10.7270/Q2SF3062
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50522288 (CHEMBL4518527) Show SMILES OC(=O)Cn1cnc2c(NC(=O)c3cccc(c3)-c3ccccc3)ncnc12 Show InChI InChI=1S/C20H15N5O3/c26-16(27)10-25-12-23-17-18(21-11-22-19(17)25)24-20(28)15-8-4-7-14(9-15)13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H,26,27)(H,21,22,24,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.43E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Competitive inhibition of recombinant cN-II (unknown origin) using varying level of IMP as substrate by HPLC method based Lineweaver-Burk plot analys...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50500515 (CHEMBL3747390) Show SMILES O=C(Nc1ncnc2[nH]cnc12)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C18H13N5O/c24-18(23-17-15-16(20-10-19-15)21-11-22-17)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H2,19,20,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	8.93E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Competitive inhibition of recombinant cN-II (unknown origin) using varying level of IMP as substrate by HPLC method based Lineweaver-Burk plot analys...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM68391 ((2R,3S,4S,5R)-2-(6-amino-2-fluoro-9-purinyl)-5-(hy...) Show SMILES Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6+,9-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	9.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Non-competitive type of inhibition of human 5'-nucleotidase using IMP as substrate assessed as inhibitor constant for enzyme substrate complex by Lin...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50500515 (CHEMBL3747390) Show SMILES O=C(Nc1ncnc2[nH]cnc12)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C18H13N5O/c24-18(23-17-15-16(20-10-19-15)21-11-22-17)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H2,19,20,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	9.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Competitive inhibition of 5'-nucleotidase (unknown origin) using varying level of IMP as substrate by Lineweaver-Burk plot analysis				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
Cytosolic purine 5'-nucleotidase (Homo sapiens)	BDBM50500515 (CHEMBL3747390) Show SMILES O=C(Nc1ncnc2[nH]cnc12)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C18H13N5O/c24-18(23-17-15-16(20-10-19-15)21-11-22-17)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H2,19,20,21,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	9.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Competitive inhibition of recombinant N-terminal truncated human cytosolic 5'-nucleotidase-2 assessed as inhibition of inosine 5'-monophosphate hydro...				J Med Chem 58: 9680-96 (2015) Article DOI: 10.1021/acs.jmedchem.5b01616 BindingDB Entry DOI: 10.7270/Q2SF3062
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50522288 (CHEMBL4518527) Show SMILES OC(=O)Cn1cnc2c(NC(=O)c3cccc(c3)-c3ccccc3)ncnc12 Show InChI InChI=1S/C20H15N5O3/c26-16(27)10-25-12-23-17-18(21-11-22-19(17)25)24-20(28)15-8-4-7-14(9-15)13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H,26,27)(H,21,22,24,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.95E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant cN-II (unknown origin) assessed as inhibitor constant for free enzyme using varying level of IMP as substrate by...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50522286 (CHEMBL3237671) Show SMILES [Na;v0+].[Na;v0+].[H][C@@]1([#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]1-[#8])-n1ccc(-[#7])nc1=O)[#6@H](-[#8])-[#6]P([#8-])([#8-])=O |r| Show InChI InChI=1S/C10H16N3O8P.2Na/c11-5-1-2-13(10(17)12-5)9-7(16)6(15)8(21-9)4(14)3-22(18,19)20;;/h1-2,4,6-9,14-16H,3H2,(H2,11,12,17)(H2,18,19,20);;/q;2*+1/p-2/t4-,6+,7-,8-,9-;;/m1../s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Competitive inhibition of 5'-nucleotidase (unknown origin) using varying level of IMP as substrate by Lineweaver-Burk plot analysis				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50522285 (CHEMBL4549109) Show SMILES CCOP([O-])(=O)Cn1cnc(c1)-c1cccc(c1)-c1cccc(c1)C(=O)Nc1ncnc2nc[nH]c12 Show InChI InChI=1S/C24H22N7O4P/c1-2-35-36(33,34)15-31-11-20(29-14-31)18-7-3-5-16(9-18)17-6-4-8-19(10-17)24(32)30-23-21-22(26-12-25-21)27-13-28-23/h3-14H,2,15H2,1H3,(H,33,34)(H2,25,26,27,28,30,32)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.35E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Uncompetitive inhibition of recombinant cN-II (unknown origin) using varying level of IMP as substrate by HPLC method based Lineweaver-Burk plot anal...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50500515 (CHEMBL3747390) Show SMILES O=C(Nc1ncnc2[nH]cnc12)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C18H13N5O/c24-18(23-17-15-16(20-10-19-15)21-11-22-17)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H2,19,20,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	1.48E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant cN-II (unknown origin) assessed as inhibitor constant for free enzyme using varying level of IMP as substrate by...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
Cytosolic purine 5'-nucleotidase (Homo sapiens)	BDBM50500513 (CHEMBL3746419) Show SMILES O=C(Nc1ncnc2[nH]cnc12)c1ccccc1-c1cccc(c1)-n1cccc1 Show InChI InChI=1S/C22H16N6O/c29-22(27-21-19-20(24-13-23-19)25-14-26-21)18-9-2-1-8-17(18)15-6-5-7-16(12-15)28-10-3-4-11-28/h1-14H,(H2,23,24,25,26,27,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	1.65E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Non-competitive inhibition of recombinant N-terminal truncated human cytosolic 5'-nucleotidase-2 assessed as inhibition of inosine 5'-monophosphate h...				J Med Chem 58: 9680-96 (2015) Article DOI: 10.1021/acs.jmedchem.5b01616 BindingDB Entry DOI: 10.7270/Q2SF3062
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50522288 (CHEMBL4518527) Show SMILES OC(=O)Cn1cnc2c(NC(=O)c3cccc(c3)-c3ccccc3)ncnc12 Show InChI InChI=1S/C20H15N5O3/c26-16(27)10-25-12-23-17-18(21-11-22-19(17)25)24-20(28)15-8-4-7-14(9-15)13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H,26,27)(H,21,22,24,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.65E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Uncompetitive inhibition of recombinant cN-II (unknown origin) using varying level of IMP as substrate by HPLC method based Lineweaver-Burk plot anal...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50522285 (CHEMBL4549109) Show SMILES CCOP([O-])(=O)Cn1cnc(c1)-c1cccc(c1)-c1cccc(c1)C(=O)Nc1ncnc2nc[nH]c12 Show InChI InChI=1S/C24H22N7O4P/c1-2-35-36(33,34)15-31-11-20(29-14-31)18-7-3-5-16(9-18)17-6-4-8-19(10-17)24(32)30-23-21-22(26-12-25-21)27-13-28-23/h3-14H,2,15H2,1H3,(H,33,34)(H2,25,26,27,28,30,32)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Noncompetitive inhibition of recombinant cN-II (unknown origin) using varying level of IMP as substrate by HPLC method based Lineweaver-Burk plot ana...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
Cytosolic purine 5'-nucleotidase (Homo sapiens)	BDBM50500510 (CHEMBL3746211) Show SMILES [Na;v0+].[Na;v0+].[#8-]S(=O)(=O)c1ccc2-[#6](=O)-c3cc(ccc3-[#6](=O)-c2c1)S([#8-])(=O)=O Show InChI InChI=1S/C14H8O8S2/c15-13-9-3-1-7(23(17,18)19)5-11(9)14(16)10-4-2-8(6-12(10)13)24(20,21)22/h1-6H,(H,17,18,19)(H,20,21,22)/p-2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal truncated human cytosolic 5'-nucleotidase-2 assessed as inhibition of inosine 5'-monophosphate hydrolysis by rap...				J Med Chem 58: 9680-96 (2015) Article DOI: 10.1021/acs.jmedchem.5b01616 BindingDB Entry DOI: 10.7270/Q2SF3062
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50500510 (CHEMBL3746211) Show SMILES [Na;v0+].[Na;v0+].[#8-]S(=O)(=O)c1ccc2-[#6](=O)-c3cc(ccc3-[#6](=O)-c2c1)S([#8-])(=O)=O Show InChI InChI=1S/C14H8O8S2/c15-13-9-3-1-7(23(17,18)19)5-11(9)14(16)10-4-2-8(6-12(10)13)24(20,21)22/h1-6H,(H,17,18,19)(H,20,21,22)/p-2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Competitive inhibition of 5'-nucleotidase (unknown origin) using varying level of IMP as substrate by Lineweaver-Burk plot analysis				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50522287 (CHEMBL4438573) Show SMILES OP(O)(=O)Cn1cnc2c(NC(=O)c3cccc(c3)-c3ccccc3)ncnc12 Show InChI InChI=1S/C19H16N5O4P/c25-19(15-8-4-7-14(9-15)13-5-2-1-3-6-13)23-17-16-18(21-10-20-17)24(11-22-16)12-29(26,27)28/h1-11H,12H2,(H2,26,27,28)(H,20,21,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.43E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Competitive inhibition of recombinant cN-II (unknown origin) using varying level of IMP as substrate by HPLC method based Lineweaver-Burk plot analys...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50522287 (CHEMBL4438573) Show SMILES OP(O)(=O)Cn1cnc2c(NC(=O)c3cccc(c3)-c3ccccc3)ncnc12 Show InChI InChI=1S/C19H16N5O4P/c25-19(15-8-4-7-14(9-15)13-5-2-1-3-6-13)23-17-16-18(21-10-20-17)24(11-22-16)12-29(26,27)28/h1-11H,12H2,(H2,26,27,28)(H,20,21,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.43E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant cN-II (unknown origin) assessed as inhibitor constant for free enzyme using varying level of IMP as substrate by...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50500515 (CHEMBL3747390) Show SMILES O=C(Nc1ncnc2[nH]cnc12)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C18H13N5O/c24-18(23-17-15-16(20-10-19-15)21-11-22-17)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H2,19,20,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	2.44E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Uncompetitive inhibition of recombinant cN-II (unknown origin) using varying level of IMP as substrate by HPLC method based Lineweaver-Burk plot anal...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50522288 (CHEMBL4518527) Show SMILES OC(=O)Cn1cnc2c(NC(=O)c3cccc(c3)-c3ccccc3)ncnc12 Show InChI InChI=1S/C20H15N5O3/c26-16(27)10-25-12-23-17-18(21-11-22-19(17)25)24-20(28)15-8-4-7-14(9-15)13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H,26,27)(H,21,22,24,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.52E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Noncompetitive inhibition of recombinant cN-II (unknown origin) using varying level of IMP as substrate by HPLC method based Lineweaver-Burk plot ana...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
Cytosolic purine 5'-nucleotidase (Homo sapiens)	BDBM50500512 (CHEMBL3746515) Show SMILES O=C(Nc1ncnc2[nH]cnc12)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C18H13N5O/c24-18(23-17-15-16(20-10-19-15)21-11-22-17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H2,19,20,21,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	2.78E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Competitive inhibition of recombinant N-terminal truncated human cytosolic 5'-nucleotidase-2 assessed as inhibition of inosine 5'-monophosphate hydro...				J Med Chem 58: 9680-96 (2015) Article DOI: 10.1021/acs.jmedchem.5b01616 BindingDB Entry DOI: 10.7270/Q2SF3062
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50500515 (CHEMBL3747390) Show SMILES O=C(Nc1ncnc2[nH]cnc12)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C18H13N5O/c24-18(23-17-15-16(20-10-19-15)21-11-22-17)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H2,19,20,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	3.36E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Noncompetitive inhibition of recombinant cN-II (unknown origin) using varying level of IMP as substrate by HPLC method based Lineweaver-Burk plot ana...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50522287 (CHEMBL4438573) Show SMILES OP(O)(=O)Cn1cnc2c(NC(=O)c3cccc(c3)-c3ccccc3)ncnc12 Show InChI InChI=1S/C19H16N5O4P/c25-19(15-8-4-7-14(9-15)13-5-2-1-3-6-13)23-17-16-18(21-10-20-17)24(11-22-16)12-29(26,27)28/h1-11H,12H2,(H2,26,27,28)(H,20,21,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.98E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Uncompetitive inhibition of recombinant cN-II (unknown origin) using varying level of IMP as substrate by HPLC method based Lineweaver-Burk plot anal...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50500515 (CHEMBL3747390) Show SMILES O=C(Nc1ncnc2[nH]cnc12)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C18H13N5O/c24-18(23-17-15-16(20-10-19-15)21-11-22-17)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H2,19,20,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	6.27E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant cN-II (unknown origin) assessed as inhibitor constant for enzyme substrate complex using varying level of IMP as...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50522287 (CHEMBL4438573) Show SMILES OP(O)(=O)Cn1cnc2c(NC(=O)c3cccc(c3)-c3ccccc3)ncnc12 Show InChI InChI=1S/C19H16N5O4P/c25-19(15-8-4-7-14(9-15)13-5-2-1-3-6-13)23-17-16-18(21-10-20-17)24(11-22-16)12-29(26,27)28/h1-11H,12H2,(H2,26,27,28)(H,20,21,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.97E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Noncompetitive inhibition of recombinant cN-II (unknown origin) using varying level of IMP as substrate by HPLC method based Lineweaver-Burk plot ana...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50522288 (CHEMBL4518527) Show SMILES OC(=O)Cn1cnc2c(NC(=O)c3cccc(c3)-c3ccccc3)ncnc12 Show InChI InChI=1S/C20H15N5O3/c26-16(27)10-25-12-23-17-18(21-11-22-19(17)25)24-20(28)15-8-4-7-14(9-15)13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H,26,27)(H,21,22,24,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.13E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant cN-II (unknown origin) assessed as inhibitor constant for enzyme substrate complex using varying level of IMP as...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase type 2-alpha (Homo sapiens (Human))	BDBM50005005 (CHEMBL2397317) Show SMILES COc1ccc(cc1OC)-c1c(C)nn2c(NCCN3CCOCC3)cc(C)nc12 Show InChI InChI=1S/C22H29N5O3/c1-15-13-20(23-7-8-26-9-11-30-12-10-26)27-22(24-15)21(16(2)25-27)17-5-6-18(28-3)19(14-17)29-4/h5-6,13-14,23H,7-12H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of PI4K2alpha (unknown origin) assessed as hydrolysis of ATP for 60 mins by ADP-Glo kinase assay				J Med Chem 58: 3767-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00499 BindingDB Entry DOI: 10.7270/Q2MW2JVR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase type 2-alpha (Homo sapiens (Human))	BDBM50087056 (CHEMBL3426603) Show SMILES COc1ccc(cc1OC)-c1c(C)nc2c(N)cc(Cl)nn12 Show InChI InChI=1S/C15H15ClN4O2/c1-8-14(9-4-5-11(21-2)12(6-9)22-3)20-15(18-8)10(17)7-13(16)19-20/h4-7H,17H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of PI4K2alpha (unknown origin) assessed as hydrolysis of ATP for 60 mins by ADP-Glo kinase assay				J Med Chem 58: 3767-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00499 BindingDB Entry DOI: 10.7270/Q2MW2JVR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase type 2-alpha (Homo sapiens (Human))	BDBM50087057 (CHEMBL3426602) Show SMILES COc1ccc(cc1OC)-c1c(C)nc2c(NCCNC(C)=O)ccnn12 Show InChI InChI=1S/C19H23N5O3/c1-12-18(14-5-6-16(26-3)17(11-14)27-4)24-19(23-12)15(7-8-22-24)21-10-9-20-13(2)25/h5-8,11,21H,9-10H2,1-4H3,(H,20,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of PI4K2alpha (unknown origin) assessed as hydrolysis of ATP for 60 mins by ADP-Glo kinase assay				J Med Chem 58: 3767-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00499 BindingDB Entry DOI: 10.7270/Q2MW2JVR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase type 2-alpha (Homo sapiens (Human))	BDBM50087058 (CHEMBL3426601) Show SMILES CC(C)NS(=O)(=O)c1cccc(c1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 Show InChI InChI=1S/C20H25ClN6O3S/c1-12(2)26-31(29,30)16-7-5-6-15(10-16)19-13(3)24-20-17(11-18(21)25-27(19)20)23-9-8-22-14(4)28/h5-7,10-12,23,26H,8-9H2,1-4H3,(H,22,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of PI4K2alpha (unknown origin) assessed as hydrolysis of ATP for 60 mins by ADP-Glo kinase assay				J Med Chem 58: 3767-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00499 BindingDB Entry DOI: 10.7270/Q2MW2JVR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase type 2-alpha (Homo sapiens (Human))	BDBM50087059 (CHEMBL3426600) Show SMILES CC(=O)NCCNc1cc(Cl)nn2c(c(C)nc12)-c1ccc(F)c(C=O)c1 Show InChI InChI=1S/C18H17ClFN5O2/c1-10-17(12-3-4-14(20)13(7-12)9-26)25-18(23-10)15(8-16(19)24-25)22-6-5-21-11(2)27/h3-4,7-9,22H,5-6H2,1-2H3,(H,21,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of PI4K2alpha (unknown origin) assessed as hydrolysis of ATP for 60 mins by ADP-Glo kinase assay				J Med Chem 58: 3767-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00499 BindingDB Entry DOI: 10.7270/Q2MW2JVR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase type 2-alpha (Homo sapiens (Human))	BDBM50087060 (CHEMBL3426599) Show SMILES COc1ccc(cc1OC)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 Show InChI InChI=1S/C19H22ClN5O3/c1-11-18(13-5-6-15(27-3)16(9-13)28-4)25-19(23-11)14(10-17(20)24-25)22-8-7-21-12(2)26/h5-6,9-10,22H,7-8H2,1-4H3,(H,21,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of PI4K2alpha (unknown origin) assessed as hydrolysis of ATP for 60 mins by ADP-Glo kinase assay				J Med Chem 58: 3767-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00499 BindingDB Entry DOI: 10.7270/Q2MW2JVR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase type 2-alpha (Homo sapiens (Human))	BDBM50087061 (CHEMBL3426598) Show SMILES COc1ccc(cc1OC)-c1c(C)nc2c(NCCN3CCOCC3)ccnn12 Show InChI InChI=1S/C21H27N5O3/c1-15-20(16-4-5-18(27-2)19(14-16)28-3)26-21(24-15)17(6-7-23-26)22-8-9-25-10-12-29-13-11-25/h4-7,14,22H,8-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of PI4K2alpha (unknown origin) assessed as hydrolysis of ATP for 60 mins by ADP-Glo kinase assay				J Med Chem 58: 3767-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00499 BindingDB Entry DOI: 10.7270/Q2MW2JVR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase type 2-alpha (Homo sapiens (Human))	BDBM50087062 (CHEMBL3426597) Show SMILES COc1ccc(cc1OC)-c1c(C)nn2c(NCCOC(C)=O)cc(C)nc12 Show InChI InChI=1S/C20H24N4O4/c1-12-10-18(21-8-9-28-14(3)25)24-20(22-12)19(13(2)23-24)15-6-7-16(26-4)17(11-15)27-5/h6-7,10-11,21H,8-9H2,1-5H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of PI4K2alpha (unknown origin) assessed as hydrolysis of ATP for 60 mins by ADP-Glo kinase assay				J Med Chem 58: 3767-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00499 BindingDB Entry DOI: 10.7270/Q2MW2JVR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase type 2-alpha (Homo sapiens (Human))	BDBM50087092 (CHEMBL3426596) Show SMILES COc1ccc(cc1OC)-c1c(C)nn2c(NCCNS(C)(=O)=O)cc(C)nc12 Show InChI InChI=1S/C19H25N5O4S/c1-12-10-17(20-8-9-21-29(5,25)26)24-19(22-12)18(13(2)23-24)14-6-7-15(27-3)16(11-14)28-4/h6-7,10-11,20-21H,8-9H2,1-5H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of PI4K2alpha (unknown origin) assessed as hydrolysis of ATP for 60 mins by ADP-Glo kinase assay				J Med Chem 58: 3767-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00499 BindingDB Entry DOI: 10.7270/Q2MW2JVR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase type 2-alpha (Homo sapiens (Human))	BDBM50087099 (CHEMBL3426595) Show SMILES COc1ccc(cc1OC)-c1c(C)nn2c(NCCNC(=O)C(C)C)cc(C)nc12 Show InChI InChI=1S/C22H29N5O3/c1-13(2)22(28)24-10-9-23-19-11-14(3)25-21-20(15(4)26-27(19)21)16-7-8-17(29-5)18(12-16)30-6/h7-8,11-13,23H,9-10H2,1-6H3,(H,24,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of PI4K2alpha (unknown origin) assessed as hydrolysis of ATP for 60 mins by ADP-Glo kinase assay				J Med Chem 58: 3767-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00499 BindingDB Entry DOI: 10.7270/Q2MW2JVR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase type 2-alpha (Homo sapiens (Human))	BDBM50087117 (CHEMBL3426594) Show SMILES COc1ccc(cc1OC)-c1c(C)nn2c(NCCNC(C)=O)cc(C)nc12 Show InChI InChI=1S/C20H25N5O3/c1-12-10-18(22-9-8-21-14(3)26)25-20(23-12)19(13(2)24-25)15-6-7-16(27-4)17(11-15)28-5/h6-7,10-11,22H,8-9H2,1-5H3,(H,21,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of PI4K2alpha (unknown origin) assessed as hydrolysis of ATP for 60 mins by ADP-Glo kinase assay				J Med Chem 58: 3767-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00499 BindingDB Entry DOI: 10.7270/Q2MW2JVR
					More data for this Ligand-Target Pair