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Compile Data Set for Download or QSAR

Found 59 hits Enz. Inhib. hit(s) with Target = 'Inositol hexakisphosphate kinase 2'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Inositol hexakisphosphate kinase 2


(Homo sapiens)		BDBM50525744
PNG
(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)
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 4.88E+3n/an/an/an/an/an/an/an/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 2


(Homo sapiens)		BDBM50605476
PNG
(CHEMBL5190343)
Show SMILES OC(=O)c1ccc2noc(-c3ccc(cc3)-c3ccccc3)c2c1
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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 2


(Homo sapiens)		BDBM50605510
PNG
(CHEMBL5203174)
Show SMILES OC(=O)c1ccc2NC(=O)C3(CCN(CC3)C(=O)c3ccc(Cl)cc3)c2c1
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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 2


(Homo sapiens)		BDBM50605488
PNG
(CHEMBL5169462)
Show SMILES OC(=O)c1ccc2noc(-c3ccc(cc3)-c3cccnc3)c2c1
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Article DOI: 10.1021/acs.jmedchem.2c00220
BindingDB Entry DOI: 10.7270/Q24J0K7J
More data for this
Ligand-Target Pair
Inositol hexakisphosphate kinase 2


(Homo sapiens)		BDBM50605491
PNG
(CHEMBL5186210)
Show SMILES OC(=O)c1ccc2noc(-c3ccc(Cc4ccccc4)cc3)c2c1
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Article DOI: 10.1021/acs.jmedchem.2c00220
BindingDB Entry DOI: 10.7270/Q24J0K7J
More data for this
Ligand-Target Pair
Inositol hexakisphosphate kinase 2


(Homo sapiens)		BDBM50605508
PNG
(CHEMBL5200214)
Show SMILES OC(=O)c1ccc2noc(-c3cccc(Oc4ncc(Cl)cc4Cl)c3)c2c1
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Article DOI: 10.1021/acs.jmedchem.2c00220
BindingDB Entry DOI: 10.7270/Q24J0K7J
More data for this
Ligand-Target Pair
Inositol hexakisphosphate kinase 2


(Homo sapiens)		BDBM50605484
PNG
(CHEMBL5181623)
Show SMILES OC(=O)\C=C\c1ccc2noc(-c3ccc(cc3)-c3ccccc3)c2c1
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Article DOI: 10.1021/acs.jmedchem.2c00220
BindingDB Entry DOI: 10.7270/Q24J0K7J
More data for this
Ligand-Target Pair
Inositol hexakisphosphate kinase 2


(Homo sapiens)		BDBM50605483
PNG
(CHEMBL5184960)
Show SMILES OC(=O)\C=C\c1ccc2noc(-c3ccc(Oc4ccccc4)cc3)c2c1
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Article DOI: 10.1021/acs.jmedchem.2c00220
BindingDB Entry DOI: 10.7270/Q24J0K7J
More data for this
Ligand-Target Pair
Inositol hexakisphosphate kinase 2


(Homo sapiens)		BDBM50605476
PNG
(CHEMBL5190343)
Show SMILES OC(=O)c1ccc2noc(-c3ccc(cc3)-c3ccccc3)c2c1
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Article DOI: 10.1021/acs.jmedchem.2c00220
BindingDB Entry DOI: 10.7270/Q24J0K7J
More data for this
Ligand-Target Pair
Inositol hexakisphosphate kinase 2


(Homo sapiens)		BDBM50605509
PNG
(CHEMBL5204881)
Show SMILES Cc1cc(C)cc(c1)-c1onc2ccc(cc12)C(O)=O
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Article DOI: 10.1021/acs.jmedchem.2c00220
BindingDB Entry DOI: 10.7270/Q24J0K7J
More data for this
Ligand-Target Pair
Inositol hexakisphosphate kinase 2


(Homo sapiens)		BDBM50605505
PNG
(CHEMBL5184940)
Show SMILES OC(=O)c1ccc2noc(-c3cccc(c3)-c3ccccc3)c2c1
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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 2


(Homo sapiens)		BDBM50605506
PNG
(CHEMBL5196483)
Show SMILES OC(=O)c1ccc2noc(-c3cccc(Oc4ccccc4)c3)c2c1
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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 2


(Homo sapiens)		BDBM50605489
PNG
(CHEMBL5201078)
Show SMILES OC(=O)c1ccc2noc(-c3ccc(cc3)-c3ccncc3)c2c1
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Article DOI: 10.1021/acs.jmedchem.2c00220
BindingDB Entry DOI: 10.7270/Q24J0K7J
More data for this
Ligand-Target Pair
Inositol hexakisphosphate kinase 2


(Homo sapiens)		BDBM50605502
PNG
(CHEMBL5186729)
Show SMILES Cc1cccc(c1)-c1onc2ccc(cc12)C(O)=O
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Article DOI: 10.1021/acs.jmedchem.2c00220
BindingDB Entry DOI: 10.7270/Q24J0K7J
More data for this
Ligand-Target Pair
Inositol hexakisphosphate kinase 2


(Homo sapiens)		BDBM50605498
PNG
(CHEMBL5197626)
Show SMILES OC(=O)c1ccc2noc(-c3ccc(NC(=O)C4CCCC4)cc3)c2c1
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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 2


(Homo sapiens)		BDBM50605490
PNG
(CHEMBL5175579)
Show SMILES OC(=O)c1ccc2noc(-c3ccc(cc3)N3CCCCC3)c2c1
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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 2


(Homo sapiens)		BDBM50605486
PNG
(CHEMBL1460920)
Show SMILES OC(=O)c1ccc2noc(-c3ccccc3)c2c1
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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 2


(Homo sapiens)		BDBM50605492
PNG
(CHEMBL5185725)
Show SMILES OC(=O)c1ccc2noc(-c3ccc(Oc4ccccc4)cc3)c2c1
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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 2


(Homo sapiens)		BDBM50605485
PNG
(CHEMBL5190846)
Show SMILES Cc1cccc(c1)-c1onc2ccc(\C=C\C(O)=O)cc12
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Article DOI: 10.1021/acs.jmedchem.2c00220
BindingDB Entry DOI: 10.7270/Q24J0K7J
More data for this
Ligand-Target Pair
Inositol hexakisphosphate kinase 2


(Homo sapiens)		BDBM50605482
PNG
(CHEMBL5201056)
Show SMILES OC(=O)\C=C\c1ccc2noc(-c3ccc(OC(F)(F)F)cc3)c2c1
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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 2


(Homo sapiens)		BDBM50605496
PNG
(CHEMBL5198845)
Show SMILES CC(C)NC(=O)c1ccc(cc1)-c1onc2ccc(cc12)C(O)=O
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Article DOI: 10.1021/acs.jmedchem.2c00220
BindingDB Entry DOI: 10.7270/Q24J0K7J
More data for this
Ligand-Target Pair
Inositol hexakisphosphate kinase 2


(Homo sapiens)		BDBM50605504
PNG
(CHEMBL5189856)
Show SMILES OC(=O)c1ccc2noc(-c3cccc(NC(=O)C4CC4)c3)c2c1
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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 2


(Homo sapiens)		BDBM115059
PNG
(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)
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Article DOI: 10.1021/acs.jmedchem.2c00220
BindingDB Entry DOI: 10.7270/Q24J0K7J
More data for this
Ligand-Target Pair
Inositol hexakisphosphate kinase 2


(Homo sapiens)		BDBM50605497
PNG
(CHEMBL5188320)
Show SMILES OC(=O)c1ccc2noc(-c3ccc(cc3)N3CCCC3=O)c2c1
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Article DOI: 10.1021/acs.jmedchem.2c00220
BindingDB Entry DOI: 10.7270/Q24J0K7J
More data for this
Ligand-Target Pair
Inositol hexakisphosphate kinase 2


(Homo sapiens)		BDBM23409
PNG
(3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-...)
Show SMILES COc1cc(ccc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
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National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of human IP6K2 using insP6 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay

J Med Chem 62: 1443-1454 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01593
BindingDB Entry DOI: 10.7270/Q2FF3WRW
More data for this
Ligand-Target Pair
Inositol hexakisphosphate kinase 2


(Homo sapiens)		BDBM373532
PNG
(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+
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Article DOI: 10.1021/acs.jmedchem.2c00220
BindingDB Entry DOI: 10.7270/Q24J0K7J
More data for this
Ligand-Target Pair
Inositol hexakisphosphate kinase 2


(Homo sapiens)		BDBM50605500
PNG
(CHEMBL5171388)
Show SMILES OC(=O)c1ccc2noc(-c3ccc(NC(=O)c4ccccc4)cc3)c2c1
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Article DOI: 10.1021/acs.jmedchem.2c00220
BindingDB Entry DOI: 10.7270/Q24J0K7J
More data for this
Ligand-Target Pair
Inositol hexakisphosphate kinase 2


(Homo sapiens)		BDBM50605494
PNG
(CHEMBL5192487)
Show SMILES OC(=O)c1ccc2noc(-c3ccc(Oc4ncc(Cl)cc4Cl)cc3)c2c1
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Article DOI: 10.1021/acs.jmedchem.2c00220
BindingDB Entry DOI: 10.7270/Q24J0K7J
More data for this
Ligand-Target Pair
Inositol hexakisphosphate kinase 2


(Homo sapiens)		BDBM50605507
PNG
(CHEMBL5203362)
Show SMILES OC(=O)c1ccc2noc(-c3cccc(Oc4ccccn4)c3)c2c1
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Article DOI: 10.1021/acs.jmedchem.2c00220
BindingDB Entry DOI: 10.7270/Q24J0K7J
More data for this
Ligand-Target Pair
Inositol hexakisphosphate kinase 2


(Homo sapiens)		BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of human IP6K2 using insP6 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay

J Med Chem 62: 1443-1454 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01593
BindingDB Entry DOI: 10.7270/Q2FF3WRW
More data for this
Ligand-Target Pair
Inositol hexakisphosphate kinase 2


(Homo sapiens)		BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of human IP6K2 using insP6 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay

J Med Chem 62: 1443-1454 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01593
BindingDB Entry DOI: 10.7270/Q2FF3WRW
More data for this
Ligand-Target Pair
Inositol hexakisphosphate kinase 2


(Homo sapiens)		BDBM50605501
PNG
(CHEMBL5185229)
Show SMILES OC(=O)c1ccc2noc(-c3ccc(NC(=O)c4ccncn4)cc3)c2c1
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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 2


(Homo sapiens)		BDBM50605495
PNG
(CHEMBL5206215)
Show SMILES CC(C)C(=O)Nc1ccc(cc1)-c1onc2ccc(cc12)C(O)=O
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Article DOI: 10.1021/acs.jmedchem.2c00220
BindingDB Entry DOI: 10.7270/Q24J0K7J
More data for this
Ligand-Target Pair
Inositol hexakisphosphate kinase 2


(Homo sapiens)		BDBM23414
PNG
(5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chr...)
Show SMILES COc1ccc(cc1O)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3
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National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of human IP6K2 using insP6 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay

J Med Chem 62: 1443-1454 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01593
BindingDB Entry DOI: 10.7270/Q2FF3WRW
More data for this
Ligand-Target Pair
Inositol hexakisphosphate kinase 2


(Homo sapiens)		BDBM50605493
PNG
(CHEMBL5195827)
Show SMILES OC(=O)c1ccc2noc(-c3ccc(Oc4ccccn4)cc3)c2c1
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n/an/a 1.19E+3n/an/an/an/an/an/a


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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 2


(Homo sapiens)		BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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n/an/a 1.30E+3n/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of human IP6K2 using insP6 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay

J Med Chem 62: 1443-1454 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01593
BindingDB Entry DOI: 10.7270/Q2FF3WRW
More data for this
Ligand-Target Pair
Inositol hexakisphosphate kinase 2


(Homo sapiens)		BDBM50605503
PNG
(CHEMBL5205377)
Show SMILES OC(=O)c1ccc2noc(-c3cccc(c3)C(F)(F)F)c2c1
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n/an/a 1.46E+3n/an/an/an/an/an/a


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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 2


(Homo sapiens)		BDBM50605478
PNG
(CHEMBL5178065)
Show SMILES COC(=O)\C=C\c1ccc2noc(-c3ccccc3)c2c1
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n/an/a 1.58E+3n/an/an/an/an/an/a


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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 2


(Homo sapiens)		BDBM23410
PNG
(2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H...)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of human IP6K2 using insP6 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay

J Med Chem 62: 1443-1454 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01593
BindingDB Entry DOI: 10.7270/Q2FF3WRW
More data for this
Ligand-Target Pair
Inositol hexakisphosphate kinase 2


(Homo sapiens)		BDBM50261491
PNG
(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)
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n/an/a 2.00E+3n/an/an/an/an/an/a


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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 2


(Homo sapiens)		BDBM50605487
PNG
(CHEMBL5209246)
Show SMILES CNC(=O)c1ccc2noc(-c3ccccc3)c2c1
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n/an/a 2.12E+3n/an/an/an/an/an/a


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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 2


(Homo sapiens)		BDBM50605499
PNG
(CHEMBL5178548)
Show SMILES OC(=O)c1ccc2noc(-c3ccc(NC(=O)C4CCC(=O)NC4)cc3)c2c1
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n/an/a 2.39E+3n/an/an/an/an/an/a


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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 2


(Homo sapiens)		BDBM7462
PNG
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
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n/an/a 2.50E+3n/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of human IP6K2 using insP6 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay

J Med Chem 62: 1443-1454 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01593
BindingDB Entry DOI: 10.7270/Q2FF3WRW
More data for this
Ligand-Target Pair
Inositol hexakisphosphate kinase 2


(Homo sapiens)		BDBM23415
PNG
(5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3
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n/an/a 5.70E+3n/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of human IP6K2 using insP6 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay

J Med Chem 62: 1443-1454 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01593
BindingDB Entry DOI: 10.7270/Q2FF3WRW
More data for this
Ligand-Target Pair
Inositol hexakisphosphate kinase 2


(Homo sapiens)		BDBM50605481
PNG
(CHEMBL5199101)
Show SMILES Cc1ccc(cc1)-c1onc2ccc(\C=C\C(O)=O)cc12
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n/an/a 6.51E+3n/an/an/an/an/an/a


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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 2


(Homo sapiens)		BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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n/an/a 7.10E+3n/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of human IP6K2 using insP6 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay

J Med Chem 62: 1443-1454 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01593
BindingDB Entry DOI: 10.7270/Q2FF3WRW
More data for this
Ligand-Target Pair
Inositol hexakisphosphate kinase 2


(Homo sapiens)		BDBM50445691
PNG
(CHEMBL243677)
Show SMILES Oc1ccc(cc1O)-c1cc(O)c2c(cccc2=O)o1
Show InChI InChI=1S/C15H10O5/c16-9-5-4-8(6-11(9)18)14-7-12(19)15-10(17)2-1-3-13(15)20-14/h1-7,16,18-19H
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n/an/a 8.00E+3n/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of human IP6K2 using insP6 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay

J Med Chem 62: 1443-1454 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01593
BindingDB Entry DOI: 10.7270/Q2FF3WRW
More data for this
Ligand-Target Pair
Inositol hexakisphosphate kinase 2


(Homo sapiens)		BDBM50605477
PNG
(CHEMBL1368139)
Show SMILES OC(=O)\C=C\c1ccc2noc(-c3ccccc3)c2c1
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n/an/a 8.65E+3n/an/an/an/an/an/a


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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 2


(Homo sapiens)		BDBM50157555
PNG
(2-(3,4-dihydroxyphenyl)-4H-chromen-4-one | 3',4'-d...)
Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H10O4/c16-11-6-5-9(7-13(11)18)15-8-12(17)10-3-1-2-4-14(10)19-15/h1-8,16,18H
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n/an/a 1.14E+4n/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of human IP6K2 using insP6 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay

J Med Chem 62: 1443-1454 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01593
BindingDB Entry DOI: 10.7270/Q2FF3WRW
More data for this
Ligand-Target Pair
Inositol hexakisphosphate kinase 2


(Homo sapiens)		BDBM76563
PNG
(2-(4-hydroxyphenyl)-6-oxidanyl-chromen-4-one | 6-h...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2cc(O)ccc2o1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-8,16-17H
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n/an/a 1.29E+4n/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of human IP6K2 using insP6 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay

J Med Chem 62: 1443-1454 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01593
BindingDB Entry DOI: 10.7270/Q2FF3WRW
More data for this
Ligand-Target Pair
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