Compile Data Set for Download or QSAR

Found 70 hits Enz. Inhib. hit(s) with Target = 'Inositol hexakisphosphate kinase 1'   

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 1 (Homo sapiens)	BDBM50605476 (CHEMBL5190343) Show SMILES OC(=O)c1ccc2noc(-c3ccc(cc3)-c3ccccc3)c2c1 Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50605488 (CHEMBL5169462) Show SMILES OC(=O)c1ccc2noc(-c3ccc(cc3)-c3cccnc3)c2c1 Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50605484 (CHEMBL5181623) Show SMILES OC(=O)\C=C\c1ccc2noc(-c3ccc(cc3)-c3ccccc3)c2c1 Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50605510 (CHEMBL5203174) Show SMILES OC(=O)c1ccc2NC(=O)C3(CCN(CC3)C(=O)c3ccc(Cl)cc3)c2c1 Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50605476 (CHEMBL5190343) Show SMILES OC(=O)c1ccc2noc(-c3ccc(cc3)-c3ccccc3)c2c1 Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50605508 (CHEMBL5200214) Show SMILES OC(=O)c1ccc2noc(-c3cccc(Oc4ncc(Cl)cc4Cl)c3)c2c1 Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50605505 (CHEMBL5184940) Show SMILES OC(=O)c1ccc2noc(-c3cccc(c3)-c3ccccc3)c2c1 Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50605509 (CHEMBL5204881) Show SMILES Cc1cc(C)cc(c1)-c1onc2ccc(cc12)C(O)=O Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50605491 (CHEMBL5186210) Show SMILES OC(=O)c1ccc2noc(-c3ccc(Cc4ccccc4)cc3)c2c1 Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50605483 (CHEMBL5184960) Show SMILES OC(=O)\C=C\c1ccc2noc(-c3ccc(Oc4ccccc4)cc3)c2c1 Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50605482 (CHEMBL5201056) Show SMILES OC(=O)\C=C\c1ccc2noc(-c3ccc(OC(F)(F)F)cc3)c2c1 Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50605485 (CHEMBL5190846) Show SMILES Cc1cccc(c1)-c1onc2ccc(\C=C\C(O)=O)cc12 Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50605489 (CHEMBL5201078) Show SMILES OC(=O)c1ccc2noc(-c3ccc(cc3)-c3ccncc3)c2c1 Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50605506 (CHEMBL5196483) Show SMILES OC(=O)c1ccc2noc(-c3cccc(Oc4ccccc4)c3)c2c1 Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50605498 (CHEMBL5197626) Show SMILES OC(=O)c1ccc2noc(-c3ccc(NC(=O)C4CCCC4)cc3)c2c1 Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50605490 (CHEMBL5175579) Show SMILES OC(=O)c1ccc2noc(-c3ccc(cc3)N3CCCCC3)c2c1 Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50605502 (CHEMBL5186729) Show SMILES Cc1cccc(c1)-c1onc2ccc(cc12)C(O)=O Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50605497 (CHEMBL5188320) Show SMILES OC(=O)c1ccc2noc(-c3ccc(cc3)N3CCCC3=O)c2c1 Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50605496 (CHEMBL5198845) Show SMILES CC(C)NC(=O)c1ccc(cc1)-c1onc2ccc(cc12)C(O)=O Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50605494 (CHEMBL5192487) Show SMILES OC(=O)c1ccc2noc(-c3ccc(Oc4ncc(Cl)cc4Cl)cc3)c2c1 Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50605495 (CHEMBL5206215) Show SMILES CC(C)C(=O)Nc1ccc(cc1)-c1onc2ccc(cc12)C(O)=O Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50605492 (CHEMBL5185725) Show SMILES OC(=O)c1ccc2noc(-c3ccc(Oc4ccccc4)cc3)c2c1 Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50605507 (CHEMBL5203362) Show SMILES OC(=O)c1ccc2noc(-c3cccc(Oc4ccccn4)c3)c2c1 Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50605504 (CHEMBL5189856) Show SMILES OC(=O)c1ccc2noc(-c3cccc(NC(=O)C4CC4)c3)c2c1 Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50605500 (CHEMBL5171388) Show SMILES OC(=O)c1ccc2noc(-c3ccc(NC(=O)c4ccccc4)cc3)c2c1 Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					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)	BDBM50605501 (CHEMBL5185229) Show SMILES OC(=O)c1ccc2noc(-c3ccc(NC(=O)c4ccncn4)cc3)c2c1 Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM373532 (US9903855, Molecule 1) Show SMILES OC(=O)\C=C\c1ccc2c(onc2c1)-c1ccccc1 Show InChI InChI=1S/C16H11NO3/c18-15(19)9-7-11-6-8-13-14(10-11)17-20-16(13)12-4-2-1-3-5-12/h1-10H,(H,18,19)/b9-7+	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50605486 (CHEMBL1460920) Show SMILES OC(=O)c1ccc2noc(-c3ccccc3)c2c1 Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM115059 (3-(4-methylphenyl)-2,1-benzisoxazole-5-carboxylic ...) Show SMILES Cc1ccc(cc1)-c1onc2ccc(cc12)C(O)=O Show InChI InChI=1S/C15H11NO3/c1-9-2-4-10(5-3-9)14-12-8-11(15(17)18)6-7-13(12)16-19-14/h2-8H,1H3,(H,17,18)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50605503 (CHEMBL5205377) Show SMILES OC(=O)c1ccc2noc(-c3cccc(c3)C(F)(F)F)c2c1 Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50605481 (CHEMBL5199101) Show SMILES Cc1ccc(cc1)-c1onc2ccc(\C=C\C(O)=O)cc12 Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					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)	BDBM50605499 (CHEMBL5178548) Show SMILES OC(=O)c1ccc2noc(-c3ccc(NC(=O)C4CCC(=O)NC4)cc3)c2c1 Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					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)	BDBM50605477 (CHEMBL1368139) Show SMILES OC(=O)\C=C\c1ccc2noc(-c3ccccc3)c2c1 Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					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)	BDBM50605487 (CHEMBL5209246) Show SMILES CNC(=O)c1ccc2noc(-c3ccccc3)c2c1 Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50605493 (CHEMBL5195827) Show SMILES OC(=O)c1ccc2noc(-c3ccc(Oc4ccccn4)cc3)c2c1 Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					More data for this Ligand-Target Pair
Inositol hexakisphosphate kinase 1 (Homo sapiens)	BDBM50605478 (CHEMBL5178065) Show SMILES COC(=O)\C=C\c1ccc2noc(-c3ccccc3)c2c1 Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					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 1 (Homo sapiens)	BDBM50605480 (CHEMBL5188989) Show SMILES CNC(=O)\C=C\c1ccc2noc(-c3ccccc3)c2c1 Show InChI	KEGG UniProtKB/SwissProt B.MOAD 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
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					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)	BDBM50605479 (CHEMBL5177760) Show SMILES CN(C)C(=O)\C=C\c1ccc2noc(-c3ccccc3)c2c1 Show InChI	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00220 BindingDB Entry DOI: 10.7270/Q24J0K7J
					More data for this Ligand-Target Pair

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