Compile Data Set for Download or QSAR

Found 9 hits of ic50 for UniProtKB: P17105   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Inositol-trisphosphate 3-kinase A (Rattus norvegicus)	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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pohang University of Science & Technology Curated by ChEMBL					Assay Description Binding affinity of the compound against recombinant plasmid rat brain IP3K by overexpressing in E. coli				Bioorg Med Chem Lett 13: 2981-4 (2003) BindingDB Entry DOI: 10.7270/Q2FQ9W02
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inositol-trisphosphate 3-kinase A (Rattus norvegicus)	BDBM50132162 (CHEMBL3349689 | Phosphoric acid mono-(2,3,4-trihyd...) Show SMILES O[C@@H]1[C@@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H]1O |r| Show InChI InChI=1S/C6H15O15P3/c7-1-2(8)4(19-22(10,11)12)6(21-24(16,17)18)5(3(1)9)20-23(13,14)15/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pohang University of Science & Technology Curated by ChEMBL					Assay Description Binding affinity of the compound against recombinant plasmid rat brain IP3K by overexpressing in E. coli				Bioorg Med Chem Lett 13: 2981-4 (2003) BindingDB Entry DOI: 10.7270/Q2FQ9W02
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Rattus norvegicus)	BDBM50075651 (1D-myo-inositol 1,3,4,5-tetrakis(dihydrogen phosph...) Show SMILES O[C@H]1[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O Show InChI InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3-,4+,5-,6-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	2.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pohang University of Science & Technology Curated by ChEMBL					Assay Description Binding affinity of the compound against recombinant plasmid rat brain IP3K by overexpressing in E. coli				Bioorg Med Chem Lett 13: 2981-4 (2003) BindingDB Entry DOI: 10.7270/Q2FQ9W02
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inositol-trisphosphate 3-kinase A (Rattus norvegicus)	BDBM50221652 (CHEMBL3349691) Show SMILES O[C@@H]1[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O |r| Show InChI InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3-,4+,5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pohang University of Science & Technology Curated by ChEMBL					Assay Description Binding affinity against recombinant plasmid rat brain IP3K by overexpressing in Escherichia coli				Bioorg Med Chem Lett 13: 2981-4 (2003) BindingDB Entry DOI: 10.7270/Q2FQ9W02
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Rattus norvegicus)	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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	4.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pohang University of Science & Technology Curated by ChEMBL					Assay Description Binding affinity of the compound against recombinant plasmid rat brain IP3K by overexpressing in E. coli				Bioorg Med Chem Lett 13: 2981-4 (2003) BindingDB Entry DOI: 10.7270/Q2FQ9W02
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inositol-trisphosphate 3-kinase A (Rattus norvegicus)	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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	4.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pohang University of Science & Technology Curated by ChEMBL					Assay Description Binding affinity of the compound against recombinant plasmid rat brain IP3K by overexpressing in E. coli				Bioorg Med Chem Lett 13: 2981-4 (2003) BindingDB Entry DOI: 10.7270/Q2FQ9W02
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inositol-trisphosphate 3-kinase A (Rattus norvegicus)	BDBM50132165 (CHEMBL3349692 | Ins (1,3,5)p3 | Phosphoric acid mo...) Show SMILES O[C@H]1[C@H](OP(O)(O)=O)[C@@H](O)[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1OP(O)(O)=O |r| Show InChI InChI=1S/C6H15O15P3/c7-1-4(19-22(10,11)12)2(8)6(21-24(16,17)18)3(9)5(1)20-23(13,14)15/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pohang University of Science & Technology Curated by ChEMBL					Assay Description Binding affinity of the compound against recombinant plasmid rat brain IP3K by overexpressing in E. coli				Bioorg Med Chem Lett 13: 2981-4 (2003) BindingDB Entry DOI: 10.7270/Q2FQ9W02
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Rattus norvegicus)	BDBM50221514 (CHEMBL3351092) Show SMILES O[C@@H]1[C@@H](O)[C@@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O |r| Show InChI InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3-,4+,5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pohang University of Science & Technology Curated by ChEMBL					Assay Description Binding affinity of the compound against recombinant plasmid rat brain IP3K by overexpressing in E. coli				Bioorg Med Chem Lett 13: 2981-4 (2003) BindingDB Entry DOI: 10.7270/Q2FQ9W02
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Rattus norvegicus)	BDBM50221513 (CHEMBL3349690) Show SMILES O[C@@H]1[C@@H](O)[C@@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O |r| Show InChI InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3-,4-,5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pohang University of Science & Technology Curated by ChEMBL					Assay Description Binding affinity of the compound against recombinant plasmid rat brain IP3K by overexpressing in E. coli				Bioorg Med Chem Lett 13: 2981-4 (2003) BindingDB Entry DOI: 10.7270/Q2FQ9W02
					More data for this Ligand-Target Pair