Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with Target = 'Inositol 1,4,5-trisphosphate 3-kinase (IP3K )'   

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-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82310 (Purine, 5) Show SMILES FC(F)(F)c1cccc(CNc2nc(NCc3ccc(cc3)N(=O)=O)c3[nH]cnc3n2)c1 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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	4.30E+3	-31.9	1.02E+4	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82308 (Purine, 3) Show SMILES FC(F)(F)c1cccc(CNc2nc(NCc3ccccc3)c3[nH]cnc3n2)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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.37E+4	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82309 (Purine, 4) Show SMILES FC(F)(F)c1cccc(CNc2nc(NCc3ccccc3)c3ncn(C4CCCCO4)c3n2)c1 Show InChI InChI=1S/C25H25F3N6O/c26-25(27,28)19-10-6-9-18(13-19)15-30-24-32-22(29-14-17-7-2-1-3-8-17)21-23(33-24)34(16-31-21)20-11-4-5-12-35-20/h1-3,6-10,13,16,20H,4-5,11-12,14-15H2,(H2,29,30,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.34E+4	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82306 (Purine, 1) Show SMILES Cn1cnc2c(NCc3ccc(N)cc3)nc(NCc3cccc(c3)C(F)(F)F)nc12 Show InChI InChI=1S/C21H20F3N7/c1-31-12-28-17-18(26-10-13-5-7-16(25)8-6-13)29-20(30-19(17)31)27-11-14-3-2-4-15(9-14)21(22,23)24/h2-9,12H,10-11,25H2,1H3,(H2,26,27,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.71E+4	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82307 (Purine, 2) Show SMILES Nc1ccc(CNc2nc(NCc3cccc(c3)C(F)(F)F)nc3nc[nH]c23)cc1 Show InChI InChI=1S/C20H18F3N7/c21-20(22,23)14-3-1-2-13(8-14)10-26-19-29-17(16-18(30-19)28-11-27-16)25-9-12-4-6-15(24)7-5-12/h1-8,11H,9-10,24H2,(H3,25,26,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82311 (Purine, 6) Show SMILES Clc1cccc(CNc2nc(NCc3ccccc3)c3[nH]cnc3n2)c1 Show InChI InChI=1S/C19H17ClN6/c20-15-8-4-7-14(9-15)11-22-19-25-17(16-18(26-19)24-12-23-16)21-10-13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H3,21,22,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82312 (Purine, 7) Show SMILES Clc1ccc(CNc2nc(NCc3ccccc3)c3[nH]cnc3n2)cc1 Show InChI InChI=1S/C19H17ClN6/c20-15-8-6-14(7-9-15)11-22-19-25-17(16-18(26-19)24-12-23-16)21-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H3,21,22,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.38E+5	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82313 (Purine, 8) Show SMILES FC(F)(F)c1ccc(CNc2nc(NCc3ccc(cc3)C(F)(F)F)c3[nH]cnc3n2)cc1 Show InChI InChI=1S/C21H16F6N6/c22-20(23,24)14-5-1-12(2-6-14)9-28-17-16-18(31-11-30-16)33-19(32-17)29-10-13-3-7-15(8-4-13)21(25,26)27/h1-8,11H,9-10H2,(H3,28,29,30,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+5	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82314 (Purine, 9) Show SMILES Fc1ccc(CNc2nc(NCc3ccccc3)c3[nH]cnc3n2)cc1 Show InChI InChI=1S/C19H17FN6/c20-15-8-6-14(7-9-15)11-22-19-25-17(16-18(26-19)24-12-23-16)21-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H3,21,22,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+5	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82315 (Purine, 10) Show SMILES Clc1ccc(CNc2nc(Nc3ccccc3)c3[nH]cnc3n2)cc1 Show InChI InChI=1S/C18H15ClN6/c19-13-8-6-12(7-9-13)10-20-18-24-16-15(21-11-22-16)17(25-18)23-14-4-2-1-3-5-14/h1-9,11H,10H2,(H3,20,21,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82316 (Purine, 11) Show SMILES COc1ccc(CNc2nc(NCc3cccc(c3)C(F)(F)F)nc3n(cnc23)C(C)C)cc1 Show InChI InChI=1S/C24H25F3N6O/c1-15(2)33-14-30-20-21(28-12-16-7-9-19(34-3)10-8-16)31-23(32-22(20)33)29-13-17-5-4-6-18(11-17)24(25,26)27/h4-11,14-15H,12-13H2,1-3H3,(H2,28,29,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82317 (Purine, 12) Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCc3cccc(c3)C(F)(F)F)nc12 Show InChI InChI=1S/C22H20ClF3N6/c1-13(2)32-12-28-18-19(29-17-8-4-7-16(23)10-17)30-21(31-20(18)32)27-11-14-5-3-6-15(9-14)22(24,25)26/h3-10,12-13H,11H2,1-2H3,(H2,27,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82318 (Purine, 13) Show SMILES C(Nc1nc(NCc2ccc3ccccc3c2)nc2nc[nH]c12)c1ccccc1 Show InChI InChI=1S/C23H20N6/c1-2-6-16(7-3-1)13-24-21-20-22(27-15-26-20)29-23(28-21)25-14-17-10-11-18-8-4-5-9-19(18)12-17/h1-12,15H,13-14H2,(H3,24,25,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+4	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82319 (Purine, 14) Show SMILES NCc1cccc(CNc2nc(NCc3ccccc3)c3[nH]cnc3n2)c1 Show InChI InChI=1S/C20H21N7/c21-10-15-7-4-8-16(9-15)12-23-20-26-18(17-19(27-20)25-13-24-17)22-11-14-5-2-1-3-6-14/h1-9,13H,10-12,21H2,(H3,22,23,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82320 (Purine, 15) Show SMILES CC(Nc1nc(NCc2ccccc2)c2[nH]cnc2n1)c1ccccc1 Show InChI InChI=1S/C20H20N6/c1-14(16-10-6-3-7-11-16)24-20-25-18(17-19(26-20)23-13-22-17)21-12-15-8-4-2-5-9-15/h2-11,13-14H,12H2,1H3,(H3,21,22,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+5	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82321 (Purine, 16) Show SMILES Clc1ccccc1CNc1nc(NCc2cccc(c2)N(=O)=O)c2[nH]cnc2n1 Show InChI InChI=1S/C19H16ClN7O2/c20-15-7-2-1-5-13(15)10-22-19-25-17(16-18(26-19)24-11-23-16)21-9-12-4-3-6-14(8-12)27(28)29/h1-8,11H,9-10H2,(H3,21,22,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82322 (Purine, 17) Show SMILES FC(F)(F)c1ccccc1CNc1nc(NCc2ccc(cc2)N(=O)=O)c2[nH]cnc2n1 Show InChI InChI=1S/C20H16F3N7O2/c21-20(22,23)15-4-2-1-3-13(15)10-25-19-28-17(16-18(29-19)27-11-26-16)24-9-12-5-7-14(8-6-12)30(31)32/h1-8,11H,9-10H2,(H3,24,25,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.82E+4	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82323 (Purine, 18) Show SMILES FC(F)(F)c1ccc(CNc2nc(NCc3ccc(cc3)N(=O)=O)c3[nH]cnc3n2)cc1 Show InChI InChI=1S/C20H16F3N7O2/c21-20(22,23)14-5-1-12(2-6-14)10-25-19-28-17(16-18(29-19)27-11-26-16)24-9-13-3-7-15(8-4-13)30(31)32/h1-8,11H,9-10H2,(H3,24,25,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.76E+4	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82324 (Purine, 19) Show SMILES Fc1ccccc1CNc1nc(NCc2ccc(cc2)N(=O)=O)c2[nH]cnc2n1 Show InChI InChI=1S/C19H16FN7O2/c20-15-4-2-1-3-13(15)10-22-19-25-17(16-18(26-19)24-11-23-16)21-9-12-5-7-14(8-6-12)27(28)29/h1-8,11H,9-10H2,(H3,21,22,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.34E+4	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82325 (Purine, 20) Show SMILES Fc1cccc(CNc2nc(NCc3ccc(cc3)N(=O)=O)c3[nH]cnc3n2)c1 Show InChI InChI=1S/C19H16FN7O2/c20-14-3-1-2-13(8-14)10-22-19-25-17(16-18(26-19)24-11-23-16)21-9-12-4-6-15(7-5-12)27(28)29/h1-8,11H,9-10H2,(H3,21,22,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82326 (Purine, 21) Show SMILES Fc1ccc(CNc2nc(NCc3ccc(cc3)N(=O)=O)c3[nH]cnc3n2)cc1 Show InChI InChI=1S/C19H16FN7O2/c20-14-5-1-12(2-6-14)10-22-19-25-17(16-18(26-19)24-11-23-16)21-9-13-3-7-15(8-4-13)27(28)29/h1-8,11H,9-10H2,(H3,21,22,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.88E+4	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82327 (Purine, 22) Show SMILES Clc1ccccc1CNc1nc(NCc2ccc(cc2)N(=O)=O)c2[nH]cnc2n1 Show InChI InChI=1S/C19H16ClN7O2/c20-15-4-2-1-3-13(15)10-22-19-25-17(16-18(26-19)24-11-23-16)21-9-12-5-7-14(8-6-12)27(28)29/h1-8,11H,9-10H2,(H3,21,22,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82328 (Purine, 23) Show SMILES Clc1cccc(CNc2nc(NCc3ccc(cc3)N(=O)=O)c3[nH]cnc3n2)c1 Show InChI InChI=1S/C19H16ClN7O2/c20-14-3-1-2-13(8-14)10-22-19-25-17(16-18(26-19)24-11-23-16)21-9-12-4-6-15(7-5-12)27(28)29/h1-8,11H,9-10H2,(H3,21,22,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82329 (Purine, 24) Show SMILES Clc1ccc(CNc2nc(NCc3ccc(cc3)N(=O)=O)c3[nH]cnc3n2)cc1 Show InChI InChI=1S/C19H16ClN7O2/c20-14-5-1-12(2-6-14)10-22-19-25-17(16-18(26-19)24-11-23-16)21-9-13-3-7-15(8-4-13)27(28)29/h1-8,11H,9-10H2,(H3,21,22,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.27E+4	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM618482 (US11759530, Compound Table1.5) Show SMILES O[N+](=O)c1ccc(CNc2nc(NCc3cccc(c3)C(F)(F)F)nc3[nH]cnc23)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair