Compile Data Set for Download or QSAR

Found 154 hits with Last Name = 'albarrán' and Initial = 'mi'   

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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50388102 (CHEMBL2058172) Show SMILES COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha by HTRF assay				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50388102 (CHEMBL2058172) Show SMILES COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta by HTRF assay				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50388102 (CHEMBL2058172) Show SMILES COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma assessed as accumulation of ADP				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50388102 (CHEMBL2058172) Show SMILES COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	94.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of human PI3Kbeta by HTRF assay				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50388111 (CHEMBL2058163) Show SMILES NC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1 Show InChI InChI=1S/C15H16N8O2/c16-12(24)11-8-23-7-10(9-5-18-15(17)19-6-9)20-13(14(23)21-11)22-1-3-25-4-2-22/h5-8H,1-4H2,(H2,16,24)(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha assessed as accumulation of ADP				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50388109 (CHEMBL2058165) Show SMILES CN(C)CCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1 Show InChI InChI=1S/C20H27N9O2/c1-27(2)5-3-4-22-19(30)16-13-29-12-15(14-10-23-20(21)24-11-14)25-17(18(29)26-16)28-6-8-31-9-7-28/h10-13H,3-9H2,1-2H3,(H,22,30)(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha assessed as accumulation of ADP				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50364777 (CHEMBL1952142) Show SMILES COc1cc(NCC2CCNCC2)nc2n(nnc12)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C19H21F3N6O2/c1-29-15-10-16(24-11-12-5-7-23-8-6-12)25-18-17(15)26-27-28(18)13-3-2-4-14(9-13)30-19(20,21)22/h2-4,9-10,12,23H,5-8,11H2,1H3,(H,24,25)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM3				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50388102 (CHEMBL2058172) Show SMILES COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha assessed as accumulation of ADP				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50364777 (CHEMBL1952142) Show SMILES COc1cc(NCC2CCNCC2)nc2n(nnc12)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C19H21F3N6O2/c1-29-15-10-16(24-11-12-5-7-23-8-6-12)25-18-17(15)26-27-28(18)13-3-2-4-14(9-13)30-19(20,21)22/h2-4,9-10,12,23H,5-8,11H2,1H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM1				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50364778 (CHEMBL1952143) Show SMILES COc1cc(NCC2CCNCC2)nc2n(nnc12)-c1cccc(c1)N(C)C Show InChI InChI=1S/C20H27N7O/c1-26(2)15-5-4-6-16(11-15)27-20-19(24-25-27)17(28-3)12-18(23-20)22-13-14-7-9-21-10-8-14/h4-6,11-12,14,21H,7-10,13H2,1-3H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM1				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50388111 (CHEMBL2058163) Show SMILES NC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1 Show InChI InChI=1S/C15H16N8O2/c16-12(24)11-8-23-7-10(9-5-18-15(17)19-6-9)20-13(14(23)21-11)22-1-3-25-4-2-22/h5-8H,1-4H2,(H2,16,24)(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha-mediated AKT phosphorylation at Ser473 in human U2OS cells by Western blot analysis				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50364778 (CHEMBL1952143) Show SMILES COc1cc(NCC2CCNCC2)nc2n(nnc12)-c1cccc(c1)N(C)C Show InChI InChI=1S/C20H27N7O/c1-26(2)15-5-4-6-16(11-15)27-20-19(24-25-27)17(28-3)12-18(23-20)22-13-14-7-9-21-10-8-14/h4-6,11-12,14,21H,7-10,13H2,1-3H3,(H,22,23)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM3				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50388108 (CHEMBL2058166) Show SMILES COCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1 Show InChI InChI=1S/C18H22N8O3/c1-28-5-2-20-17(27)14-11-26-10-13(12-8-21-18(19)22-9-12)23-15(16(26)24-14)25-3-6-29-7-4-25/h8-11H,2-7H2,1H3,(H,20,27)(H2,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha assessed as accumulation of ADP				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50388107 (CHEMBL2058167) Show SMILES COCCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1 Show InChI InChI=1S/C19H24N8O3/c1-29-6-2-3-21-18(28)15-12-27-11-14(13-9-22-19(20)23-10-13)24-16(17(27)25-15)26-4-7-30-8-5-26/h9-12H,2-8H2,1H3,(H,21,28)(H2,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha assessed as accumulation of ADP				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50364813 (CHEMBL1952126) Show SMILES FC(F)(F)Oc1cccc(c1)-n1nnc2ccc(NCC3CC4(C3)CCNCC4)nc12 Show InChI InChI=1S/C21H23F3N6O/c22-21(23,24)31-16-3-1-2-15(10-16)30-19-17(28-29-30)4-5-18(27-19)26-13-14-11-20(12-14)6-8-25-9-7-20/h1-5,10,14,25H,6-9,11-13H2,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM1				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50388110 (CHEMBL2058164) Show SMILES CN(C)CCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1 Show InChI InChI=1S/C19H25N9O2/c1-26(2)4-3-21-18(29)15-12-28-11-14(13-9-22-19(20)23-10-13)24-16(17(28)25-15)27-5-7-30-8-6-27/h9-12H,3-8H2,1-2H3,(H,21,29)(H2,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha assessed as accumulation of ADP				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50364773 (CHEMBL1952134) Show SMILES CN(C)c1cccc(c1)-n1nnc2ccc(NCC3CCNCC3)nc12 Show InChI InChI=1S/C19H25N7/c1-25(2)15-4-3-5-16(12-15)26-19-17(23-24-26)6-7-18(22-19)21-13-14-8-10-20-11-9-14/h3-7,12,14,20H,8-11,13H2,1-2H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM1				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50364779 (CHEMBL1952144) Show SMILES FC(F)(F)Oc1cccc(c1)-n1nnc2cc(Cl)c(NCC3CCNCC3)nc12 Show InChI InChI=1S/C18H18ClF3N6O/c19-14-9-15-17(25-16(14)24-10-11-4-6-23-7-5-11)28(27-26-15)12-2-1-3-13(8-12)29-18(20,21)22/h1-3,8-9,11,23H,4-7,10H2,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM1				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50364793 (CHEMBL1952113) Show SMILES FC(F)(F)Oc1cccc(c1)-n1nnc2ccc(NCC3CCNCC3)nc12 Show InChI InChI=1S/C18H19F3N6O/c19-18(20,21)28-14-3-1-2-13(10-14)27-17-15(25-26-27)4-5-16(24-17)23-11-12-6-8-22-9-7-12/h1-5,10,12,22H,6-9,11H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM1				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50364776 (CHEMBL1952141 | CHEMBL1952329) Show SMILES CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1 Show InChI InChI=1S/C20H22F3N5O/c1-27-9-7-14(8-10-27)12-24-18-5-6-19-25-13-17(28(19)26-18)15-3-2-4-16(11-15)29-20(21,22)23/h2-6,11,13-14H,7-10,12H2,1H3,(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM1				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50364793 (CHEMBL1952113) Show SMILES FC(F)(F)Oc1cccc(c1)-n1nnc2ccc(NCC3CCNCC3)nc12 Show InChI InChI=1S/C18H19F3N6O/c19-18(20,21)28-14-3-1-2-13(10-14)27-17-15(25-26-27)4-5-16(24-17)23-11-12-6-8-22-9-7-12/h1-5,10,12,22H,6-9,11H2,(H,23,24)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM3				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50364776 (CHEMBL1952141 | CHEMBL1952329) Show SMILES CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1 Show InChI InChI=1S/C20H22F3N5O/c1-27-9-7-14(8-10-27)12-24-18-5-6-19-25-13-17(28(19)26-18)15-3-2-4-16(11-15)29-20(21,22)23/h2-6,11,13-14H,7-10,12H2,1H3,(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM1				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50388109 (CHEMBL2058165) Show SMILES CN(C)CCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1 Show InChI InChI=1S/C20H27N9O2/c1-27(2)5-3-4-22-19(30)16-13-29-12-15(14-10-23-20(21)24-11-14)25-17(18(29)26-16)28-6-8-31-9-7-28/h10-13H,3-9H2,1-2H3,(H,22,30)(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha-mediated AKT phosphorylation at Ser473 in human U2OS cells by Western blot analysis				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50364774 (CHEMBL1952136) Show SMILES FC(F)(F)c1cccc(c1)-n1nnc2ccc(NCC3CC4(C3)CCNCC4)nc12 Show InChI InChI=1S/C21H23F3N6/c22-21(23,24)15-2-1-3-16(10-15)30-19-17(28-29-30)4-5-18(27-19)26-13-14-11-20(12-14)6-8-25-9-7-20/h1-5,10,14,25H,6-9,11-13H2,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM1				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50364823 (CHEMBL1952124) Show SMILES FC(F)(F)Oc1cccc(c1)-n1nnc2ccc(nc12)N1CC2(C1)CCNCC2 Show InChI InChI=1S/C19H19F3N6O/c20-19(21,22)29-14-3-1-2-13(10-14)28-17-15(25-26-28)4-5-16(24-17)27-11-18(12-27)6-8-23-9-7-18/h1-5,10,23H,6-9,11-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM1				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50388106 (CHEMBL2058168) Show SMILES Nc1ncc(cn1)-c1cn2cc(nc2c(n1)N1CCOCC1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:28.32,wD:25.28,(-9.8,-30.99,;-8.46,-30.22,;-8.46,-28.68,;-7.13,-27.91,;-5.8,-28.69,;-5.8,-30.22,;-7.12,-31,;-4.47,-27.92,;-3.13,-28.69,;-1.8,-27.92,;-.33,-28.39,;.57,-27.14,;-.33,-25.9,;-1.8,-26.38,;-3.13,-25.61,;-4.47,-26.32,;-3.13,-24.07,;-4.46,-23.31,;-4.46,-21.77,;-3.13,-20.99,;-1.8,-21.77,;-1.8,-23.31,;2.11,-27.14,;2.88,-25.8,;2.89,-28.47,;2.12,-29.81,;.58,-29.81,;-.19,-31.13,;.58,-32.47,;-.2,-33.8,;2.12,-32.47,;2.89,-31.13,)| Show InChI InChI=1S/C21H26N8O3/c22-21-23-9-13(10-24-21)16-11-29-12-17(20(31)25-14-1-3-15(30)4-2-14)27-19(29)18(26-16)28-5-7-32-8-6-28/h9-12,14-15,30H,1-8H2,(H,25,31)(H2,22,23,24)/t14-,15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha assessed as accumulation of ADP				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50388105 (CHEMBL2058169) Show SMILES Nc1ncc(cn1)-c1cn2cc(nc2c(n1)N1CCOCC1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C21H27N9O3/c22-21-24-11-15(12-25-21)16-13-30-14-17(20(31)23-1-2-28-3-7-32-8-4-28)27-19(30)18(26-16)29-5-9-33-10-6-29/h11-14H,1-10H2,(H,23,31)(H2,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.4	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha assessed as accumulation of ADP				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50364773 (CHEMBL1952134) Show SMILES CN(C)c1cccc(c1)-n1nnc2ccc(NCC3CCNCC3)nc12 Show InChI InChI=1S/C19H25N7/c1-25(2)15-4-3-5-16(12-15)26-19-17(23-24-26)6-7-18(22-19)21-13-14-8-10-20-11-9-14/h3-7,12,14,20H,8-11,13H2,1-2H3,(H,21,22)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM3				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50364812 (CHEMBL1952125) Show SMILES FC(F)(F)Oc1cccc(c1)-n1nnc2ccc(NC3CC4(C3)CCNCC4)nc12 Show InChI InChI=1S/C20H21F3N6O/c21-20(22,23)30-15-3-1-2-14(10-15)29-18-16(27-28-29)4-5-17(26-18)25-13-11-19(12-13)6-8-24-9-7-19/h1-5,10,13,24H,6-9,11-12H2,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM1				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50388103 (CHEMBL2058171) Show SMILES COCCNC(=O)c1cn2c(Cl)c(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1 Show InChI InChI=1S/C18H21ClN8O3/c1-29-5-2-21-17(28)12-10-27-14(19)13(11-8-22-18(20)23-9-11)25-15(16(27)24-12)26-3-6-30-7-4-26/h8-10H,2-7H2,1H3,(H,21,28)(H2,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.2	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha assessed as accumulation of ADP				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50364813 (CHEMBL1952126) Show SMILES FC(F)(F)Oc1cccc(c1)-n1nnc2ccc(NCC3CC4(C3)CCNCC4)nc12 Show InChI InChI=1S/C21H23F3N6O/c22-21(23,24)31-16-3-1-2-15(10-16)30-19-17(28-29-30)4-5-18(27-19)26-13-14-11-20(12-14)6-8-25-9-7-20/h1-5,10,14,25H,6-9,11-13H2,(H,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of FLT3				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50388102 (CHEMBL2058172) Show SMILES COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha-mediated AKT phosphorylation at Ser473 in human U2OS cells by Western blot analysis				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50388104 (CHEMBL2058170) Show SMILES Nc1ncc(cn1)-c1cn2cc(nc2c(n1)N1CCOCC1)C(=O)NC1CCOCC1 Show InChI InChI=1S/C20H24N8O3/c21-20-22-9-13(10-23-20)15-11-28-12-16(19(29)24-14-1-5-30-6-2-14)26-18(28)17(25-15)27-3-7-31-8-4-27/h9-12,14H,1-8H2,(H,24,29)(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.1	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha assessed as accumulation of ADP				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50364799 (CHEMBL1952145) Show SMILES C(Cc1ccccc1)Nc1ccc2nnc(-c3ccccc3)n2n1 Show InChI InChI=1S/C19H17N5/c1-3-7-15(8-4-1)13-14-20-17-11-12-18-21-22-19(24(18)23-17)16-9-5-2-6-10-16/h1-12H,13-14H2,(H,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM1				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50364775 (CHEMBL1952137) Show SMILES FC(F)(F)c1cccc(c1)-n1nnc2ccc(NC3CC4(C3)CCNCC4)nc12 Show InChI InChI=1S/C20H21F3N6/c21-20(22,23)13-2-1-3-15(10-13)29-18-16(27-28-29)4-5-17(26-18)25-14-11-19(12-14)6-8-24-9-7-19/h1-5,10,14,24H,6-9,11-12H2,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM1				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50388108 (CHEMBL2058166) Show SMILES COCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1 Show InChI InChI=1S/C18H22N8O3/c1-28-5-2-20-17(27)14-11-26-10-13(12-8-21-18(19)22-9-12)23-15(16(26)24-14)25-3-6-29-7-4-25/h8-11H,2-7H2,1H3,(H,20,27)(H2,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha-mediated AKT phosphorylation at Ser473 in human U2OS cells by Western blot analysis				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50364795 (CHEMBL1952135) Show SMILES FC(F)(F)c1cccc(c1)-n1nnc2ccc(NCC3CCNCC3)nc12 Show InChI InChI=1S/C18H19F3N6/c19-18(20,21)13-2-1-3-14(10-13)27-17-15(25-26-27)4-5-16(24-17)23-11-12-6-8-22-9-7-12/h1-5,10,12,22H,6-9,11H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM1				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50364779 (CHEMBL1952144) Show SMILES FC(F)(F)Oc1cccc(c1)-n1nnc2cc(Cl)c(NCC3CCNCC3)nc12 Show InChI InChI=1S/C18H18ClF3N6O/c19-14-9-15-17(25-16(14)24-10-11-4-6-23-7-5-11)28(27-26-15)12-2-1-3-13(8-12)29-18(20,21)22/h1-3,8-9,11,23H,4-7,10H2,(H,24,25)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM3				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50364794 (CHEMBL1952132) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccc2nnn(-c3cccc(OC(F)(F)F)c3)c2n1 |r,wU:4.7,wD:1.0,(29.89,-28.84,;29.9,-27.3,;31.24,-26.54,;31.24,-24.99,;29.91,-24.22,;28.57,-24.99,;28.57,-26.53,;29.92,-22.68,;31.25,-21.91,;31.25,-20.37,;32.58,-19.6,;33.91,-20.36,;35.39,-19.88,;36.3,-21.14,;35.39,-22.39,;36.15,-23.72,;35.37,-25.05,;36.12,-26.39,;37.66,-26.4,;38.44,-25.07,;39.98,-25.07,;40.75,-26.41,;42.29,-26.41,;39.97,-27.74,;41.51,-27.73,;37.68,-23.73,;33.92,-21.91,;32.58,-22.68,)| Show InChI InChI=1S/C18H18F3N5O2/c19-18(20,21)28-14-3-1-2-12(10-14)26-17-15(24-25-26)8-9-16(23-17)22-11-4-6-13(27)7-5-11/h1-3,8-11,13,27H,4-7H2,(H,22,23)/t11-,13-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM1				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50364809 (CHEMBL1952331) Show SMILES CCN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1 Show InChI InChI=1S/C21H24F3N5O/c1-2-28-10-8-15(9-11-28)13-25-19-6-7-20-26-14-18(29(20)27-19)16-4-3-5-17(12-16)30-21(22,23)24/h3-7,12,14-15H,2,8-11,13H2,1H3,(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM1				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50364775 (CHEMBL1952137) Show SMILES FC(F)(F)c1cccc(c1)-n1nnc2ccc(NC3CC4(C3)CCNCC4)nc12 Show InChI InChI=1S/C20H21F3N6/c21-20(22,23)13-2-1-3-15(10-13)29-18-16(27-28-29)4-5-17(26-18)25-14-11-19(12-14)6-8-24-9-7-19/h1-5,10,14,24H,6-9,11-12H2,(H,25,26)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM3				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50364812 (CHEMBL1952125) Show SMILES FC(F)(F)Oc1cccc(c1)-n1nnc2ccc(NC3CC4(C3)CCNCC4)nc12 Show InChI InChI=1S/C20H21F3N6O/c21-20(22,23)30-15-3-1-2-14(10-15)29-18-16(27-28-29)4-5-17(26-18)25-13-11-19(12-13)6-8-24-9-7-19/h1-5,10,13,24H,6-9,11-12H2,(H,25,26)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM3				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50364804 (CHEMBL1952326) Show SMILES FC(F)(F)Oc1cccc(c1)-c1cnc2ccc(NCCc3cccnc3)nn12 Show InChI InChI=1S/C20H16F3N5O/c21-20(22,23)29-16-5-1-4-15(11-16)17-13-26-19-7-6-18(27-28(17)19)25-10-8-14-3-2-9-24-12-14/h1-7,9,11-13H,8,10H2,(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM1				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50388107 (CHEMBL2058167) Show SMILES COCCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1 Show InChI InChI=1S/C19H24N8O3/c1-29-6-2-3-21-18(28)15-12-27-11-14(13-9-22-19(20)23-10-13)24-16(17(27)25-15)26-4-7-30-8-5-26/h9-12H,2-8H2,1H3,(H,21,28)(H2,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha-mediated AKT phosphorylation at Ser473 in human U2OS cells by Western blot analysis				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50364772 (CHEMBL1952133) Show SMILES O[C@H]1CC[C@H](CC1)Nc1ccc2nnn(-c3cccc(OC(F)(F)F)c3)c2n1 |r,wD:4.7,1.0,(-8.42,-37.15,;-8.41,-35.61,;-7.08,-34.85,;-7.07,-33.3,;-8.4,-32.53,;-9.74,-33.3,;-9.74,-34.84,;-8.4,-30.99,;-7.06,-30.22,;-7.06,-28.68,;-5.73,-27.91,;-4.4,-28.67,;-2.92,-28.19,;-2.01,-29.45,;-2.92,-30.7,;-2.17,-32.04,;-2.95,-33.36,;-2.19,-34.7,;-.65,-34.71,;.13,-33.38,;1.67,-33.38,;2.43,-34.72,;3.97,-34.73,;1.66,-36.05,;3.2,-36.04,;-.63,-32.04,;-4.4,-30.22,;-5.73,-30.99,)| Show InChI InChI=1S/C18H18F3N5O2/c19-18(20,21)28-14-3-1-2-12(10-14)26-17-15(24-25-26)8-9-16(23-17)22-11-4-6-13(27)7-5-11/h1-3,8-11,13,27H,4-7H2,(H,22,23)/t11-,13+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM1				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50364774 (CHEMBL1952136) Show SMILES FC(F)(F)c1cccc(c1)-n1nnc2ccc(NCC3CC4(C3)CCNCC4)nc12 Show InChI InChI=1S/C21H23F3N6/c22-21(23,24)15-2-1-3-16(10-15)30-19-17(28-29-30)4-5-18(27-19)26-13-14-11-20(12-14)6-8-25-9-7-20/h1-5,10,14,25H,6-9,11-13H2,(H,26,27)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM3				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50364774 (CHEMBL1952136) Show SMILES FC(F)(F)c1cccc(c1)-n1nnc2ccc(NCC3CC4(C3)CCNCC4)nc12 Show InChI InChI=1S/C21H23F3N6/c22-21(23,24)15-2-1-3-16(10-15)30-19-17(28-29-30)4-5-18(27-19)26-13-14-11-20(12-14)6-8-25-9-7-20/h1-5,10,14,25H,6-9,11-13H2,(H,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of FLT3				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50364777 (CHEMBL1952142) Show SMILES COc1cc(NCC2CCNCC2)nc2n(nnc12)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C19H21F3N6O2/c1-29-15-10-16(24-11-12-5-7-23-8-6-12)25-18-17(15)26-27-28(18)13-3-2-4-14(9-13)30-19(20,21)22/h2-4,9-10,12,23H,5-8,11H2,1H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PIM2				Bioorg Med Chem Lett 22: 1591-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.130 BindingDB Entry DOI: 10.7270/Q21R6QZ1
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50388110 (CHEMBL2058164) Show SMILES CN(C)CCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1 Show InChI InChI=1S/C19H25N9O2/c1-26(2)4-3-21-18(29)15-12-28-11-14(13-9-22-19(20)23-10-13)24-16(17(28)25-15)27-5-7-30-8-6-27/h9-12H,3-8H2,1-2H3,(H,21,29)(H2,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30.3	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha-mediated AKT phosphorylation at Ser473 in human U2OS cells by Western blot analysis				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50388104 (CHEMBL2058170) Show SMILES Nc1ncc(cn1)-c1cn2cc(nc2c(n1)N1CCOCC1)C(=O)NC1CCOCC1 Show InChI InChI=1S/C20H24N8O3/c21-20-22-9-13(10-23-20)15-11-28-12-16(19(29)24-14-1-5-30-6-2-14)26-18(28)17(25-15)27-3-7-31-8-4-27/h9-12,14H,1-8H2,(H,24,29)(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha-mediated AKT phosphorylation at Ser473 in human U2OS cells by Western blot analysis				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					More data for this Ligand-Target Pair

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