Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with Target = 'Inositol polyphosphate-5-phosphatase A' AND taxid = 9606   

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 polyphosphate-5-phosphatase A (Homo sapiens (Human))	BDBM50280455 (Phosphoric acid mono-(2,3,6-trihydroxy-4,5-bis-thi...) Show SMILES OC1C(O)C(OP([O-])([O-])=S)C(OP([O-])([O-])=S)C(O)C1OP([O-])([O-])=O Show InChI InChI=1S/C6H15O13P3S2/c7-1-2(8)5(18-21(13,14)23)6(19-22(15,16)24)3(9)4(1)17-20(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,23)(H2,15,16,24)/p-6	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for inhibition of Inositol-1,4,5-trisphosphate 5-phosphatase				Bioorg Med Chem Lett 2: 471-476 (1992) Article DOI: 10.1016/S0960-894X(00)80172-9 BindingDB Entry DOI: 10.7270/Q2RR1ZQD
					More data for this Ligand-Target Pair
Inositol polyphosphate-5-phosphatase A (Homo sapiens (Human))	BDBM50407003 (CHEMBL2092837) Show SMILES OS(=O)(=O)C[C@@H]1CCC(CS(O)(=O)=O)[C@H](CS(O)(=O)=O)C1 |r| Show InChI InChI=1S/C9H18O9S3/c10-19(11,12)4-7-1-2-8(5-20(13,14)15)9(3-7)6-21(16,17)18/h7-9H,1-6H2,(H,10,11,12)(H,13,14,15)(H,16,17,18)/t7-,8?,9+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane				J Med Chem 36: 3035-8 (1993) BindingDB Entry DOI: 10.7270/Q2T72J2R
					More data for this Ligand-Target Pair
Inositol polyphosphate-5-phosphatase A (Homo sapiens (Human))	BDBM50046068 (1D-3-deoxy- 1D-myo-Inositol 1,4,5-trisphosphate) Show SMILES O[C@@H]1CC(OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H](O)C1OP([O-])([O-])=O Show InChI InChI=1S/C6H15O14P3/c7-2-1-3(18-21(9,10)11)6(20-23(15,16)17)4(8)5(2)19-22(12,13)14/h2-8H,1H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)/p-6/t2-,3?,4-,5?,6+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane (S substrate)				J Med Chem 36: 3035-8 (1993) BindingDB Entry DOI: 10.7270/Q2T72J2R
					More data for this Ligand-Target Pair
Inositol polyphosphate-5-phosphatase A (Homo sapiens (Human))	BDBM50075183 (1,4,5-Insp3 | 1D-myo-inositol 1,4,5-triphosphate |...) Show SMILES O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O Show InChI InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane (S substrate)				J Med Chem 36: 3035-8 (1993) BindingDB Entry DOI: 10.7270/Q2T72J2R
					More data for this Ligand-Target Pair
Inositol polyphosphate-5-phosphatase A (Homo sapiens (Human))	BDBM50046075 (1D-2,3,6--trioxy- 1D-myo-Inositol 1,4,5-trisphosph...) Show SMILES O[C@@H]1C(CCC(OP([O-])([O-])=O)[C@@H]1OP([O-])([O-])=O)OP([O-])([O-])=O Show InChI InChI=1S/C6H15O13P3/c7-5-3(17-20(8,9)10)1-2-4(18-21(11,12)13)6(5)19-22(14,15)16/h3-7H,1-2H2,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)/p-6/t3?,4?,5-,6+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.65E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane (S substrate)				J Med Chem 36: 3035-8 (1993) BindingDB Entry DOI: 10.7270/Q2T72J2R
					More data for this Ligand-Target Pair
Inositol polyphosphate-5-phosphatase A (Homo sapiens (Human))	BDBM50279840 ((D)-2,2-difluoro-2-deoxy-myo-inositol 1,4,5-tripho...) Show SMILES OC1C(OP([O-])([O-])=O)C(OP([O-])([O-])=O)C(O)C(F)(F)C1OP([O-])([O-])=O Show InChI InChI=1S/C6H13F2O14P3/c7-6(8)4(10)3(21-24(14,15)16)2(20-23(11,12)13)1(9)5(6)22-25(17,18)19/h1-5,9-10H,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)/p-6	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards Inositol-1,4,5-trisphosphate 5-phosphatase				Bioorg Med Chem Lett 1: 705-710 (1991) Article DOI: 10.1016/S0960-894X(01)81052-0 BindingDB Entry DOI: 10.7270/Q2348KV6
					More data for this Ligand-Target Pair
Inositol polyphosphate-5-phosphatase A (Homo sapiens (Human))	BDBM50046074 (1D-2,3,6--trideoxy- 1D-myo-Inositol 1,4,5-trisphos...) Show SMILES [O-]P([O-])(=O)OC1CCC(OP([O-])([O-])=O)[C@@H](C1)OP([O-])([O-])=O Show InChI InChI=1S/C6H15O12P3/c7-19(8,9)16-4-1-2-5(17-20(10,11)12)6(3-4)18-21(13,14)15/h4-6H,1-3H2,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)/p-6/t4?,5?,6-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	8.14E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane (S substrate)				J Med Chem 36: 3035-8 (1993) BindingDB Entry DOI: 10.7270/Q2T72J2R
					More data for this Ligand-Target Pair
Inositol polyphosphate-5-phosphatase A (Homo sapiens (Human))	BDBM50046070 ((1R,2R,4R)-Cyclohexane-1,2,4-tris (methlyenephosph...) Show SMILES [O-]P([O-])(=O)OCC1CCC(COP([O-])([O-])=O)[C@H](COP([O-])([O-])=O)C1 Show InChI InChI=1S/C9H21O12P3/c10-22(11,12)19-4-7-1-2-8(5-20-23(13,14)15)9(3-7)6-21-24(16,17)18/h7-9H,1-6H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/p-6/t7?,8?,9-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.44E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane (R metabolically resistant)				J Med Chem 36: 3035-8 (1993) BindingDB Entry DOI: 10.7270/Q2T72J2R
					More data for this Ligand-Target Pair
Inositol polyphosphate-5-phosphatase A (Homo sapiens (Human))	BDBM50046073 (Benzene-1,2,4-tris (methylenephosphonate)) Show SMILES [O-]P([O-])(=O)Cc1ccc(CP([O-])([O-])=O)c(CP([O-])([O-])=O)c1 Show InChI InChI=1S/C9H15O9P3/c10-19(11,12)4-7-1-2-8(5-20(13,14)15)9(3-7)6-21(16,17)18/h1-3H,4-6H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/p-6	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.48E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane (R metabolically resistant)				J Med Chem 36: 3035-8 (1993) BindingDB Entry DOI: 10.7270/Q2T72J2R
					More data for this Ligand-Target Pair
Inositol polyphosphate-5-phosphatase A (Homo sapiens (Human))	BDBM50046072 ((1R,2R,4R)-Cyclohexane-1,2,4-tris (methylenephosph...) Show SMILES [O-]P([O-])(=O)CC1CCC(CP([O-])([O-])=O)[C@H](CP([O-])([O-])=O)C1 Show InChI InChI=1S/C9H21O9P3/c10-19(11,12)4-7-1-2-8(5-20(13,14)15)9(3-7)6-21(16,17)18/h7-9H,1-6H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/p-6/t7?,8?,9-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	5.35E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane (R metabolically resistant)				J Med Chem 36: 3035-8 (1993) BindingDB Entry DOI: 10.7270/Q2T72J2R
					More data for this Ligand-Target Pair
Inositol polyphosphate-5-phosphatase A (Homo sapiens (Human))	BDBM50407004 (CHEMBL2092922) Show SMILES OS(=O)(=O)C[C@H]1CCC(CS(O)(=O)=O)[C@H](CS(O)(=O)=O)C1 |r| Show InChI InChI=1S/C9H18O9S3/c10-19(11,12)4-7-1-2-8(5-20(13,14)15)9(3-7)6-21(16,17)18/h7-9H,1-6H2,(H,10,11,12)(H,13,14,15)(H,16,17,18)/t7-,8?,9-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation for Medical Education and Research Curated by ChEMBL					Assay Description Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane (R metabolically resistant)				J Med Chem 36: 3035-8 (1993) BindingDB Entry DOI: 10.7270/Q2T72J2R
					More data for this Ligand-Target Pair
Inositol polyphosphate-5-phosphatase A (Homo sapiens (Human))	BDBM50511342 (CHEMBL4538474) Show SMILES OP(O)(=O)Oc1cc(OP(O)(O)=O)c(OP(O)(O)=O)cc1OP(O)(O)=O Show InChI InChI=1S/C6H10O16P4/c7-23(8,9)19-3-1-4(20-24(10,11)12)6(22-26(16,17)18)2-5(3)21-25(13,14)15/h1-2H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
School of Biological Sciences, UEA Curated by ChEMBL					Assay Description Inhibition of recombinant human brain INPP5A expressed in Escherichia coli incubated for 10 mins by malachite green reagent based phosphate assay				ACS Med Chem Lett 11: 309-315 (2020) Article DOI: 10.1021/acsmedchemlett.9b00368 BindingDB Entry DOI: 10.7270/Q2BP063F
					More data for this Ligand-Target Pair
Inositol polyphosphate-5-phosphatase A (Homo sapiens (Human))	BDBM50511343 (CHEMBL4473747) Show SMILES OP(O)(=O)Oc1ccc(OP(O)(O)=O)c(OP(O)(O)=O)c1 Show InChI InChI=1S/C6H9O12P3/c7-19(8,9)16-4-1-2-5(17-20(10,11)12)6(3-4)18-21(13,14)15/h1-3H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
School of Biological Sciences, UEA Curated by ChEMBL					Assay Description Inhibition of recombinant human brain INPP5A expressed in Escherichia coli incubated for 10 mins by malachite green reagent based phosphate assay				ACS Med Chem Lett 11: 309-315 (2020) Article DOI: 10.1021/acsmedchemlett.9b00368 BindingDB Entry DOI: 10.7270/Q2BP063F
					More data for this Ligand-Target Pair
Inositol polyphosphate-5-phosphatase A (Homo sapiens (Human))	BDBM50511344 (CHEMBL4453163) Show SMILES OP(O)(=O)Oc1cc(OP(O)(O)=O)cc(OP(O)(O)=O)c1 Show InChI InChI=1S/C6H9O12P3/c7-19(8,9)16-4-1-5(17-20(10,11)12)3-6(2-4)18-21(13,14)15/h1-3H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
School of Biological Sciences, UEA Curated by ChEMBL					Assay Description Inhibition of recombinant human brain INPP5A expressed in Escherichia coli incubated for 10 mins by malachite green reagent based phosphate assay				ACS Med Chem Lett 11: 309-315 (2020) Article DOI: 10.1021/acsmedchemlett.9b00368 BindingDB Entry DOI: 10.7270/Q2BP063F
					More data for this Ligand-Target Pair
Inositol polyphosphate-5-phosphatase A (Homo sapiens (Human))	BDBM50511346 (CHEMBL4454154) Show SMILES OP(O)(=O)Oc1cc(OP(O)(O)=O)c(OP(O)(O)=O)c(OP(O)(O)=O)c1 Show InChI InChI=1S/C6H10O16P4/c7-23(8,9)19-3-1-4(20-24(10,11)12)6(22-26(16,17)18)5(2-3)21-25(13,14)15/h1-2H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
School of Biological Sciences, UEA Curated by ChEMBL					Assay Description Inhibition of recombinant human brain INPP5A expressed in Escherichia coli incubated for 10 mins by malachite green reagent based phosphate assay				ACS Med Chem Lett 11: 309-315 (2020) Article DOI: 10.1021/acsmedchemlett.9b00368 BindingDB Entry DOI: 10.7270/Q2BP063F
					More data for this Ligand-Target Pair
Inositol polyphosphate-5-phosphatase A (Homo sapiens (Human))	BDBM50511345 (CHEMBL4566548) Show SMILES OP(O)(=O)Oc1cccc(OP(O)(O)=O)c1OP(O)(O)=O Show InChI InChI=1S/C6H9O12P3/c7-19(8,9)16-4-2-1-3-5(17-20(10,11)12)6(4)18-21(13,14)15/h1-3H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
School of Biological Sciences, UEA Curated by ChEMBL					Assay Description Inhibition of recombinant human brain INPP5A expressed in Escherichia coli incubated for 10 mins by malachite green reagent based phosphate assay				ACS Med Chem Lett 11: 309-315 (2020) Article DOI: 10.1021/acsmedchemlett.9b00368 BindingDB Entry DOI: 10.7270/Q2BP063F
					More data for this Ligand-Target Pair
Inositol polyphosphate-5-phosphatase A (Homo sapiens (Human))	BDBM50304360 (BENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSP...) Show SMILES OP(O)(=O)Oc1ccc(OP(O)(O)=O)c(OP(O)(O)=O)c1OP(O)(O)=O Show InChI InChI=1S/C6H10O16P4/c7-23(8,9)19-3-1-2-4(20-24(10,11)12)6(22-26(16,17)18)5(3)21-25(13,14)15/h1-2H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	9.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
School of Biological Sciences, UEA Curated by ChEMBL					Assay Description Inhibition of recombinant human brain INPP5A expressed in Escherichia coli incubated for 10 mins by malachite green reagent based phosphate assay				ACS Med Chem Lett 11: 309-315 (2020) Article DOI: 10.1021/acsmedchemlett.9b00368 BindingDB Entry DOI: 10.7270/Q2BP063F
					More data for this Ligand-Target Pair