Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with all data for entry = 50009141   

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
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50525744 (CHEMBL4555782) Show SMILES COc1ccc2c(CCNc3nc(NCc4ccc(=O)[nH]c4)c4nc[nH]c4n3)c[nH]c2c1 Show InChI InChI=1S/C22H22N8O2/c1-32-15-3-4-16-14(11-24-17(16)8-15)6-7-23-22-29-20(19-21(30-22)28-12-27-19)26-10-13-2-5-18(31)25-9-13/h2-5,8-9,11-12,24H,6-7,10H2,1H3,(H,25,31)(H3,23,26,27,28,29,30)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K1 (unknown origin) in presence of ATP at Km concentration by Cheng-Prusoff equation analysis				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 2 (Homo sapiens)	BDBM50525744 (CHEMBL4555782) Show SMILES COc1ccc2c(CCNc3nc(NCc4ccc(=O)[nH]c4)c4nc[nH]c4n3)c[nH]c2c1 Show InChI InChI=1S/C22H22N8O2/c1-32-15-3-4-16-14(11-24-17(16)8-15)6-7-23-22-29-20(19-21(30-22)28-12-27-19)26-10-13-2-5-18(31)25-9-13/h2-5,8-9,11-12,24H,6-7,10H2,1H3,(H,25,31)(H3,23,26,27,28,29,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.88E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K2 (unknown origin) in presence of ATP at Km concentration by Cheng-Prusoff equation analysis				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 3 (Homo sapiens)	BDBM50525744 (CHEMBL4555782) Show SMILES COc1ccc2c(CCNc3nc(NCc4ccc(=O)[nH]c4)c4nc[nH]c4n3)c[nH]c2c1 Show InChI InChI=1S/C22H22N8O2/c1-32-15-3-4-16-14(11-24-17(16)8-15)6-7-23-22-29-20(19-21(30-22)28-12-27-19)26-10-13-2-5-18(31)25-9-13/h2-5,8-9,11-12,24H,6-7,10H2,1H3,(H,25,31)(H3,23,26,27,28,29,30)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K3 (unknown origin) in presence of ATP at Km concentration by Cheng-Prusoff equation analysis				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50525744 (CHEMBL4555782) Show SMILES COc1ccc2c(CCNc3nc(NCc4ccc(=O)[nH]c4)c4nc[nH]c4n3)c[nH]c2c1 Show InChI InChI=1S/C22H22N8O2/c1-32-15-3-4-16-14(11-24-17(16)8-15)6-7-23-22-29-20(19-21(30-22)28-12-27-19)26-10-13-2-5-18(31)25-9-13/h2-5,8-9,11-12,24H,6-7,10H2,1H3,(H,25,31)(H3,23,26,27,28,29,30)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	741	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K1 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50525744 (CHEMBL4555782) Show SMILES COc1ccc2c(CCNc3nc(NCc4ccc(=O)[nH]c4)c4nc[nH]c4n3)c[nH]c2c1 Show InChI InChI=1S/C22H22N8O2/c1-32-15-3-4-16-14(11-24-17(16)8-15)6-7-23-22-29-20(19-21(30-22)28-12-27-19)26-10-13-2-5-18(31)25-9-13/h2-5,8-9,11-12,24H,6-7,10H2,1H3,(H,25,31)(H3,23,26,27,28,29,30)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K1 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50525733 (CHEMBL4459958) Show SMILES O=c1ccc(CNc2nc(NCCc3c[nH]c4ccccc34)nc3[nH]cnc23)c[nH]1 Show InChI InChI=1S/C21H20N8O/c30-17-6-5-13(9-24-17)10-25-19-18-20(27-12-26-18)29-21(28-19)22-8-7-14-11-23-16-4-2-1-3-15(14)16/h1-6,9,11-12,23H,7-8,10H2,(H,24,30)(H3,22,25,26,27,28,29)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K1 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50525759 (CHEMBL4465245) Show SMILES COCCNc1nc(NCCc2c(C)[nH]c3ccccc23)nc2[nH]cnc12 Show InChI InChI=1S/C19H23N7O/c1-12-13(14-5-3-4-6-15(14)24-12)7-8-21-19-25-17(20-9-10-27-2)16-18(26-19)23-11-22-16/h3-6,11,24H,7-10H2,1-2H3,(H3,20,21,22,23,25,26)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K1 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50525741 (CHEMBL4563130) Show SMILES COCCNc1nc(NCCc2c[nH]c3cc(OC)ccc23)nc2[nH]cnc12 Show InChI InChI=1S/C19H23N7O2/c1-27-8-7-20-17-16-18(24-11-23-16)26-19(25-17)21-6-5-12-10-22-15-9-13(28-2)3-4-14(12)15/h3-4,9-11,22H,5-8H2,1-2H3,(H3,20,21,23,24,25,26)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K1 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50525748 (CHEMBL4575175) Show SMILES Cc1[nH]c2ccccc2c1CCNc1nc(NCc2ccc(=O)[nH]c2)c2nc[nH]c2n1 Show InChI InChI=1S/C22H22N8O/c1-13-15(16-4-2-3-5-17(16)28-13)8-9-23-22-29-20(19-21(30-22)27-12-26-19)25-11-14-6-7-18(31)24-10-14/h2-7,10,12,28H,8-9,11H2,1H3,(H,24,31)(H3,23,25,26,27,29,30)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K1 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50525758 (CHEMBL4468916) Show SMILES COCCNc1nc(NCCc2c[nH]c3ccccc23)nc2[nH]cnc12 Show InChI InChI=1S/C18H21N7O/c1-26-9-8-19-16-15-17(23-11-22-15)25-18(24-16)20-7-6-12-10-21-14-5-3-2-4-13(12)14/h2-5,10-11,21H,6-9H2,1H3,(H3,19,20,22,23,24,25)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K1 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50525743 (CHEMBL4472913) Show SMILES O=c1cc(CNc2nc(NCCc3c[nH]c4ccccc34)nc3[nH]cnc23)cc[nH]1 Show InChI InChI=1S/C21H20N8O/c30-17-9-13(5-7-22-17)10-25-19-18-20(27-12-26-18)29-21(28-19)23-8-6-14-11-24-16-4-2-1-3-15(14)16/h1-5,7,9,11-12,24H,6,8,10H2,(H,22,30)(H3,23,25,26,27,28,29)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K1 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50525753 (CHEMBL4557492) Show SMILES COCCNc1nc(NCCc2ccccc2OC)nc2[nH]cnc12 Show InChI InChI=1S/C17H22N6O2/c1-24-10-9-18-15-14-16(21-11-20-14)23-17(22-15)19-8-7-12-5-3-4-6-13(12)25-2/h3-6,11H,7-10H2,1-2H3,(H3,18,19,20,21,22,23)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K1 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 3 (Homo sapiens)	BDBM50525744 (CHEMBL4555782) Show SMILES COc1ccc2c(CCNc3nc(NCc4ccc(=O)[nH]c4)c4nc[nH]c4n3)c[nH]c2c1 Show InChI InChI=1S/C22H22N8O2/c1-32-15-3-4-16-14(11-24-17(16)8-15)6-7-23-22-29-20(19-21(30-22)28-12-27-19)26-10-13-2-5-18(31)25-9-13/h2-5,8-9,11-12,24H,6-7,10H2,1H3,(H,25,31)(H3,23,26,27,28,29,30)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K3 (unknown origin) incubated for 120 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 2 (Homo sapiens)	BDBM50525744 (CHEMBL4555782) Show SMILES COc1ccc2c(CCNc3nc(NCc4ccc(=O)[nH]c4)c4nc[nH]c4n3)c[nH]c2c1 Show InChI InChI=1S/C22H22N8O2/c1-32-15-3-4-16-14(11-24-17(16)8-15)6-7-23-22-29-20(19-21(30-22)28-12-27-19)26-10-13-2-5-18(31)25-9-13/h2-5,8-9,11-12,24H,6-7,10H2,1H3,(H,25,31)(H3,23,26,27,28,29,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K2 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50525756 (CHEMBL4570789) Show SMILES COCCNc1nc(NCCc2c[nH]c3ccc(Cl)cc23)nc2[nH]cnc12 Show InChI InChI=1S/C18H20ClN7O/c1-27-7-6-20-16-15-17(24-10-23-15)26-18(25-16)21-5-4-11-9-22-14-3-2-12(19)8-13(11)14/h2-3,8-10,22H,4-7H2,1H3,(H3,20,21,23,24,25,26)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K1 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50525740 (CHEMBL4571355) Show SMILES COCCNc1nc(NCCc2c[nH]c3ccc(O)cc23)nc2[nH]cnc12 Show InChI InChI=1S/C18H21N7O2/c1-27-7-6-19-16-15-17(23-10-22-15)25-18(24-16)20-5-4-11-9-21-14-3-2-12(26)8-13(11)14/h2-3,8-10,21,26H,4-7H2,1H3,(H3,19,20,22,23,24,25)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K1 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50525757 (CHEMBL4463014) Show SMILES COCCNc1nc(NCCc2cn(C)c3ccccc23)nc2nc[nH]c12 Show InChI InChI=1S/C19H23N7O/c1-26-11-13(14-5-3-4-6-15(14)26)7-8-21-19-24-17(20-9-10-27-2)16-18(25-19)23-12-22-16/h3-6,11-12H,7-10H2,1-2H3,(H3,20,21,22,23,24,25)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K1 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50525750 (CHEMBL4550125) Show SMILES N#Cc1ccc(CNc2nc(NCCc3c[nH]c4ccccc34)nc3[nH]cnc23)cc1 Show InChI InChI=1S/C23H20N8/c24-11-15-5-7-16(8-6-15)12-27-21-20-22(29-14-28-20)31-23(30-21)25-10-9-17-13-26-19-4-2-1-3-18(17)19/h1-8,13-14,26H,9-10,12H2,(H3,25,27,28,29,30,31)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K1 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50525742 (CHEMBL4592931) Show SMILES COCCNc1nc(NCCCc2c[nH]c3ccccc23)nc2[nH]cnc12 Show InChI InChI=1S/C19H23N7O/c1-27-10-9-20-17-16-18(24-12-23-16)26-19(25-17)21-8-4-5-13-11-22-15-7-3-2-6-14(13)15/h2-3,6-7,11-12,22H,4-5,8-10H2,1H3,(H3,20,21,23,24,25,26)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K1 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50525755 (CHEMBL4543787) Show SMILES COCCNc1nc(NCCc2ccccc2)nc2[nH]cnc12 Show InChI InChI=1S/C16H20N6O/c1-23-10-9-17-14-13-15(20-11-19-13)22-16(21-14)18-8-7-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H3,17,18,19,20,21,22)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K1 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50525737 (CHEMBL4550880) Show SMILES COCCNc1nc(NCCc2ccc(F)cc2)nc2[nH]cnc12 Show InChI InChI=1S/C16H19FN6O/c1-24-9-8-18-14-13-15(21-10-20-13)23-16(22-14)19-7-6-11-2-4-12(17)5-3-11/h2-5,10H,6-9H2,1H3,(H3,18,19,20,21,22,23)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K1 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50525746 (CHEMBL4568194) Show SMILES COCCNc1nc(NCCc2cccc3ccccc23)nc2[nH]cnc12 Show InChI InChI=1S/C20H22N6O/c1-27-12-11-21-18-17-19(24-13-23-17)26-20(25-18)22-10-9-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,13H,9-12H2,1H3,(H3,21,22,23,24,25,26)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K1 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50525745 (CHEMBL4445225) Show SMILES COCCNc1nc(NCc2cccc(c2)C(F)(F)F)nc2[nH]cnc12 Show InChI InChI=1S/C16H17F3N6O/c1-26-6-5-20-13-12-14(23-9-22-12)25-15(24-13)21-8-10-3-2-4-11(7-10)16(17,18)19/h2-4,7,9H,5-6,8H2,1H3,(H3,20,21,22,23,24,25)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.17E+5	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K1 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50525747 (CHEMBL4572649) Show SMILES COCCNc1nc(NCCc2c[nH]c3ccc(C)cc23)nc2[nH]cnc12 Show InChI InChI=1S/C19H23N7O/c1-12-3-4-15-14(9-12)13(10-22-15)5-6-21-19-25-17(20-7-8-27-2)16-18(26-19)24-11-23-16/h3-4,9-11,22H,5-8H2,1-2H3,(H3,20,21,23,24,25,26)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.23E+5	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K1 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50525739 (CHEMBL4471800) Show SMILES COCCNc1nc(NCCc2c[nH]c3ccc(OC)cc23)nc2[nH]cnc12 Show InChI InChI=1S/C19H23N7O2/c1-27-8-7-20-17-16-18(24-11-23-16)26-19(25-17)21-6-5-12-10-22-15-4-3-13(28-2)9-14(12)15/h3-4,9-11,22H,5-8H2,1-2H3,(H3,20,21,23,24,25,26)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.38E+5	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K1 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50525749 (CHEMBL4455367) Show SMILES C(Cc1c[nH]c2ccccc12)Nc1nc(NCc2ccc3nonc3c2)c2nc[nH]c2n1 Show InChI InChI=1S/C22H19N9O/c1-2-4-16-15(3-1)14(11-24-16)7-8-23-22-28-20(19-21(29-22)27-12-26-19)25-10-13-5-6-17-18(9-13)31-32-30-17/h1-6,9,11-12,24H,7-8,10H2,(H3,23,25,26,27,28,29)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.51E+5	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K1 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50525732 (CHEMBL4517629) Show SMILES COCCNc1nc(NCCc2c[nH]c3ccccc23)nc2n(C)cnc12 Show InChI InChI=1S/C19H23N7O/c1-26-12-23-16-17(20-9-10-27-2)24-19(25-18(16)26)21-8-7-13-11-22-15-6-4-3-5-14(13)15/h3-6,11-12,22H,7-10H2,1-2H3,(H2,20,21,24,25)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K1 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50525734 (CHEMBL4448969) Show SMILES COCCNc1nc(NCCc2c[nH]c3ccccc23)nc2cc[nH]c12 Show InChI InChI=1S/C19H22N6O/c1-26-11-10-21-18-17-16(7-9-20-17)24-19(25-18)22-8-6-13-12-23-15-5-3-2-4-14(13)15/h2-5,7,9,12,20,23H,6,8,10-11H2,1H3,(H2,21,22,24,25)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K1 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50525735 (CHEMBL4558479) Show SMILES COCCN(C)c1nc(NCCc2c[nH]c3ccccc23)nc2n(C)cnc12 Show InChI InChI=1S/C20H25N7O/c1-26(10-11-28-3)18-17-19(27(2)13-23-17)25-20(24-18)21-9-8-14-12-22-16-7-5-4-6-15(14)16/h4-7,12-13,22H,8-11H2,1-3H3,(H,21,24,25)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K1 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50525754 (CHEMBL4462207) Show SMILES COCCNc1nc(nc2nc[nH]c12)N(C)CCc1c[nH]c2ccccc12 Show InChI InChI=1S/C19H23N7O/c1-26(9-7-13-11-21-15-6-4-3-5-14(13)15)19-24-17(20-8-10-27-2)16-18(25-19)23-12-22-16/h3-6,11-12,21H,7-10H2,1-2H3,(H2,20,22,23,24,25)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K1 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50525736 (CHEMBL4560507) Show SMILES FC(F)(F)c1cccc(CNc2nc(NCc3ccccc3)c3nc[nH]c3n2)c1 Show InChI InChI=1S/C20H17F3N6/c21-20(22,23)15-8-4-7-14(9-15)11-25-19-28-17(16-18(29-19)27-12-26-16)24-10-13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H3,24,25,26,27,28,29)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K1 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50525752 (CHEMBL4551882) Show SMILES FC(F)(F)c1cccc(CNc2nc(NCCc3ccccc3)c3nc[nH]c3n2)c1 Show InChI InChI=1S/C21H19F3N6/c22-21(23,24)16-8-4-7-15(11-16)12-26-20-29-18(17-19(30-20)28-13-27-17)25-10-9-14-5-2-1-3-6-14/h1-8,11,13H,9-10,12H2,(H3,25,26,27,28,29,30)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K1 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50261491 (CHEMBL467591 | N2-(3-(trifluoromethyl)benzyl)-N6-(...) Show SMILES [O-][N+](=O)c1ccc(CNc2nc(NCc3cccc(c3)C(F)(F)F)nc3nc[nH]c23)cc1 Show InChI InChI=1S/C20H16F3N7O2/c21-20(22,23)14-3-1-2-13(8-14)10-25-19-28-17(16-18(29-19)27-11-26-16)24-9-12-4-6-15(7-5-12)30(31)32/h1-8,11H,9-10H2,(H3,24,25,26,27,28,29)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K1 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50525738 (CHEMBL4575772) Show SMILES COCCNc1nc(NCCc2c[nH]cn2)nc2[nH]cnc12 Show InChI InChI=1S/C13H18N8O/c1-22-5-4-15-11-10-12(19-8-18-10)21-13(20-11)16-3-2-9-6-14-7-17-9/h6-8H,2-5H2,1H3,(H,14,17)(H3,15,16,18,19,20,21)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K1 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50525751 (CHEMBL4473003) Show SMILES COCCNc1nc(NCCc2c[nH]c3ccccc23)nc2[nH]ccc12 Show InChI InChI=1S/C19H22N6O/c1-26-11-10-21-18-15-7-9-20-17(15)24-19(25-18)22-8-6-13-12-23-16-5-3-2-4-14(13)16/h2-5,7,9,12,23H,6,8,10-11H2,1H3,(H3,20,21,22,24,25)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of IP6K1 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126628 BindingDB Entry DOI: 10.7270/Q2736VCC
					More data for this Ligand-Target Pair