Compile Data Set for Download or QSAR

Found 53 hits Enz. Inhib. hit(s) with all data for entry = 8380   

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))	BDBM244234 (US9428501, 58) Show SMILES CCOc1cnc(CN2CCC(CC2)n2cc3cc(ccc3n2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1 Show InChI InChI=1S/C32H36F3N7O2/c1-2-44-30-19-36-27(18-37-30)22-39-11-9-28(10-12-39)42-21-25-17-24(5-8-29(25)38-42)31(43)41-15-13-40(14-16-41)20-23-3-6-26(7-4-23)32(33,34)35/h3-8,17-19,21,28H,2,9-16,20,22H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description In order to make human PIK3 CA mutation-positive breast cancer cell line MDA-MB-453 cells become 500 cells per well in a 384 well non-adhesive plate ...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244233 (US9428501, 57) Show SMILES COc1ccc(CN2CCC(CC2)n2cc3cc(ccc3n2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1 Show InChI InChI=1S/C32H35F3N6O2/c1-43-30-9-4-24(19-36-30)21-38-12-10-28(11-13-38)41-22-26-18-25(5-8-29(26)37-41)31(42)40-16-14-39(15-17-40)20-23-2-6-27(7-3-23)32(33,34)35/h2-9,18-19,22,28H,10-17,20-21H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description In order to make human PIK3 CA mutation-positive breast cancer cell line MDA-MB-453 cells become 500 cells per well in a 384 well non-adhesive plate ...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244226 (US9428501, 35) Show SMILES COc1ccc(CN2CCC(CC2)c2ccc3nc(cn3c2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1 Show InChI InChI=1S/C32H35F3N6O2/c1-43-30-9-4-24(18-36-30)20-38-12-10-25(11-13-38)26-5-8-29-37-28(22-41(29)21-26)31(42)40-16-14-39(15-17-40)19-23-2-6-27(7-3-23)32(33,34)35/h2-9,18,21-22,25H,10-17,19-20H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	7.5	n/a
Astellas Pharma Inc. US Patent					Assay Description Human PIK3CA mutation-positive breast cancer cell line MDA-MB-453 cells were subcutaneously implanted into nude mice, MDA-MB-453 tumor was excised, a...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244223 (US9428501, 18) Show SMILES COc1ccc(CN2CCC(CC2)c2ccc3nc(C(=O)N4CCN(Cc5ccc(cc5)C(F)(F)F)CC4)n(C)c3c2)cn1 Show InChI InChI=1S/C33H37F3N6O2/c1-39-29-19-26(25-11-13-40(14-12-25)22-24-5-10-30(44-2)37-20-24)6-9-28(29)38-31(39)32(43)42-17-15-41(16-18-42)21-23-3-7-27(8-4-23)33(34,35)36/h3-10,19-20,25H,11-18,21-22H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description In order to make human PIK3 CA mutation-positive breast cancer cell line MDA-MB-453 cells become 500 cells per well in a 384 well non-adhesive plate ...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244231 (US9428501, 49) Show SMILES COc1ccc(CN2CCC(CC2)c2ccn3nc(cc3c2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1 Show InChI InChI=1S/C32H35F3N6O2/c1-43-30-7-4-24(20-36-30)22-38-11-8-25(9-12-38)26-10-13-41-28(18-26)19-29(37-41)31(42)40-16-14-39(15-17-40)21-23-2-5-27(6-3-23)32(33,34)35/h2-7,10,13,18-20,25H,8-9,11-12,14-17,21-22H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description In order to make human PIK3 CA mutation-positive breast cancer cell line MDA-MB-453 cells become 500 cells per well in a 384 well non-adhesive plate ...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244236 (US9428501, 69) Show SMILES CCOc1cnc(CN2CCC(CC2)c2ccc3cc(C(=O)N4CCN(Cc5ccc(cc5)C#N)CC4)n(C)c3c2)cn1 Show InChI InChI=1S/C34H39N7O2/c1-3-43-33-22-36-30(21-37-33)24-39-12-10-27(11-13-39)28-8-9-29-19-32(38(2)31(29)18-28)34(42)41-16-14-40(15-17-41)23-26-6-4-25(20-35)5-7-26/h4-9,18-19,21-22,27H,3,10-17,23-24H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description In order to make human PIK3 CA mutation-positive breast cancer cell line MDA-MB-453 cells become 500 cells per well in a 384 well non-adhesive plate ...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244232 (US9428501, 50) Show SMILES COc1cnc(CN2CCC(CC2)c2ccn3nc(cc3c2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1 Show InChI InChI=1S/C31H34F3N7O2/c1-43-29-19-35-26(18-36-29)21-38-9-6-23(7-10-38)24-8-11-41-27(16-24)17-28(37-41)30(42)40-14-12-39(13-15-40)20-22-2-4-25(5-3-22)31(32,33)34/h2-5,8,11,16-19,23H,6-7,9-10,12-15,20-21H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description In order to make human PIK3 CA mutation-positive breast cancer cell line MDA-MB-453 cells become 500 cells per well in a 384 well non-adhesive plate ...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244230 (US9428501, 44) Show SMILES COc1ccc(CN2CCC(CC2)c2cc3cc(C(=O)N4CCN(Cc5ccc(cc5)C(F)(F)F)CC4)n(C)c3cn2)cn1 Show InChI InChI=1S/C33H37F3N6O2/c1-39-29(32(43)42-15-13-41(14-16-42)21-23-3-6-27(7-4-23)33(34,35)36)18-26-17-28(37-20-30(26)39)25-9-11-40(12-10-25)22-24-5-8-31(44-2)38-19-24/h3-8,17-20,25H,9-16,21-22H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description In order to make human PIK3 CA mutation-positive breast cancer cell line MDA-MB-453 cells become 500 cells per well in a 384 well non-adhesive plate ...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244226 (US9428501, 35) Show SMILES COc1ccc(CN2CCC(CC2)c2ccc3nc(cn3c2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1 Show InChI InChI=1S/C32H35F3N6O2/c1-43-30-9-4-24(18-36-30)20-38-12-10-25(11-13-38)26-5-8-29-37-28(22-41(29)21-26)31(42)40-16-14-39(15-17-40)19-23-2-6-27(7-3-23)32(33,34)35/h2-9,18,21-22,25H,10-17,19-20H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description In order to make human PIK3 CA mutation-positive breast cancer cell line MDA-MB-453 cells become 500 cells per well in a 384 well non-adhesive plate ...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244235 (US9428501, 66) Show SMILES CCOc1cnc(CN2CCC(CC2)c2ccc3n(C)c(cc3c2)C(=O)N2CCN(Cc3ccc(cc3)C#N)CC2)cn1 Show InChI InChI=1S/C34H39N7O2/c1-3-43-33-22-36-30(21-37-33)24-39-12-10-27(11-13-39)28-8-9-31-29(18-28)19-32(38(31)2)34(42)41-16-14-40(15-17-41)23-26-6-4-25(20-35)5-7-26/h4-9,18-19,21-22,27H,3,10-17,23-24H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description In order to make human PIK3 CA mutation-positive breast cancer cell line MDA-MB-453 cells become 500 cells per well in a 384 well non-adhesive plate ...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244223 (US9428501, 18) Show SMILES COc1ccc(CN2CCC(CC2)c2ccc3nc(C(=O)N4CCN(Cc5ccc(cc5)C(F)(F)F)CC4)n(C)c3c2)cn1 Show InChI InChI=1S/C33H37F3N6O2/c1-39-29-19-26(25-11-13-40(14-12-25)22-24-5-10-30(44-2)37-20-24)6-9-28(29)38-31(39)32(43)42-17-15-41(16-18-42)21-23-3-7-27(8-4-23)33(34,35)36/h3-10,19-20,25H,11-18,21-22H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.10	n/a	n/a	n/a	n/a	7.5	n/a
Astellas Pharma Inc. US Patent					Assay Description Human PIK3CA mutation-positive breast cancer cell line MDA-MB-453 cells were subcutaneously implanted into nude mice, MDA-MB-453 tumor was excised, a...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244222 (US9428501, 14) Show SMILES COc1ccc(CN2CCC(CC2)c2ccc3nc([nH]c3c2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cc1 Show InChI InChI=1S/C33H36F3N5O2/c1-43-28-9-4-24(5-10-28)21-39-14-12-25(13-15-39)26-6-11-29-30(20-26)38-31(37-29)32(42)41-18-16-40(17-19-41)22-23-2-7-27(8-3-23)33(34,35)36/h2-11,20,25H,12-19,21-22H2,1H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description In order to make human PIK3 CA mutation-positive breast cancer cell line MDA-MB-453 cells become 500 cells per well in a 384 well non-adhesive plate ...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244237 (US9428501, 79) Show SMILES COc1cnc(CN2CCC(CC2)c2ccc3n(C)c(cc3c2)C(=O)N2CCN(Cc3ccc(cc3)C#N)CC2)cn1 Show InChI InChI=1S/C33H37N7O2/c1-37-30-8-7-27(26-9-11-38(12-10-26)23-29-20-36-32(42-2)21-35-29)17-28(30)18-31(37)33(41)40-15-13-39(14-16-40)22-25-5-3-24(19-34)4-6-25/h3-8,17-18,20-21,26H,9-16,22-23H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description In order to make human PIK3 CA mutation-positive breast cancer cell line MDA-MB-453 cells become 500 cells per well in a 384 well non-adhesive plate ...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244229 (US9428501, 38) Show SMILES COc1ccc(CN2CCC(CC2)c2ccc3nc([nH]c3c2)C(=O)N2CCN(Cc3ccc(cc3F)C(F)(F)F)CC2)cn1 Show InChI InChI=1S/C32H34F4N6O2/c1-44-29-7-2-21(18-37-29)19-40-10-8-22(9-11-40)23-4-6-27-28(16-23)39-30(38-27)31(43)42-14-12-41(13-15-42)20-24-3-5-25(17-26(24)33)32(34,35)36/h2-7,16-18,22H,8-15,19-20H2,1H3,(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description In order to make human PIK3 CA mutation-positive breast cancer cell line MDA-MB-453 cells become 500 cells per well in a 384 well non-adhesive plate ...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244224 (US9428501, 19) Show SMILES COc1ccc(CN2CCC(CC2)c2ccc3n(C)c(nc3c2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1 Show InChI InChI=1S/C33H37F3N6O2/c1-39-29-9-6-26(25-11-13-40(14-12-25)22-24-5-10-30(44-2)37-20-24)19-28(29)38-31(39)32(43)42-17-15-41(16-18-42)21-23-3-7-27(8-4-23)33(34,35)36/h3-10,19-20,25H,11-18,21-22H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description In order to make human PIK3 CA mutation-positive breast cancer cell line MDA-MB-453 cells become 500 cells per well in a 384 well non-adhesive plate ...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244228 (US9428501, 37) Show SMILES COc1ccc(CN2CCC(CC2)c2ccc3nc([nH]c3c2)C(=O)N2CCN(Cc3ccc4OC(F)(F)Oc4c3)CC2)cn1 Show InChI InChI=1S/C32H34F2N6O4/c1-42-29-7-3-22(18-35-29)20-38-10-8-23(9-11-38)24-4-5-25-26(17-24)37-30(36-25)31(41)40-14-12-39(13-15-40)19-21-2-6-27-28(16-21)44-32(33,34)43-27/h2-7,16-18,23H,8-15,19-20H2,1H3,(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description In order to make human PIK3 CA mutation-positive breast cancer cell line MDA-MB-453 cells become 500 cells per well in a 384 well non-adhesive plate ...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244227 (US9428501, 36) Show SMILES COc1ccc(CN2CCC(CC2)c2ccn3cc(nc3c2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1 Show InChI InChI=1S/C32H35F3N6O2/c1-43-30-7-4-24(19-36-30)21-38-11-8-25(9-12-38)26-10-13-41-22-28(37-29(41)18-26)31(42)40-16-14-39(15-17-40)20-23-2-5-27(6-3-23)32(33,34)35/h2-7,10,13,18-19,22,25H,8-9,11-12,14-17,20-21H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description In order to make human PIK3 CA mutation-positive breast cancer cell line MDA-MB-453 cells become 500 cells per well in a 384 well non-adhesive plate ...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244233 (US9428501, 57) Show SMILES COc1ccc(CN2CCC(CC2)n2cc3cc(ccc3n2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1 Show InChI InChI=1S/C32H35F3N6O2/c1-43-30-9-4-24(19-36-30)21-38-12-10-28(11-13-38)41-22-26-18-25(5-8-29(26)37-41)31(42)40-16-14-39(15-17-40)20-23-2-6-27(7-3-23)32(33,34)35/h2-9,18-19,22,28H,10-17,20-21H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.5	n/a
Astellas Pharma Inc. US Patent					Assay Description Human PIK3CA mutation-positive breast cancer cell line MDA-MB-453 cells were subcutaneously implanted into nude mice, MDA-MB-453 tumor was excised, a...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244220 (US9428501, 7) Show SMILES COc1cnc(CN2CCC(CC2)c2ccc3[nH]c(nc3c2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1 Show InChI InChI=1S/C31H34F3N7O2/c1-43-28-18-35-25(17-36-28)20-39-10-8-22(9-11-39)23-4-7-26-27(16-23)38-29(37-26)30(42)41-14-12-40(13-15-41)19-21-2-5-24(6-3-21)31(32,33)34/h2-7,16-18,22H,8-15,19-20H2,1H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description In order to make human PIK3 CA mutation-positive breast cancer cell line MDA-MB-453 cells become 500 cells per well in a 384 well non-adhesive plate ...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244219 (US9428501, 1) Show SMILES COc1ccc(CN2CCC(CC2)c2ccc3[nH]c(nc3c2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1 Show InChI InChI=1S/C32H35F3N6O2/c1-43-29-9-4-23(19-36-29)21-39-12-10-24(11-13-39)25-5-8-27-28(18-25)38-30(37-27)31(42)41-16-14-40(15-17-41)20-22-2-6-26(7-3-22)32(33,34)35/h2-9,18-19,24H,10-17,20-21H2,1H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description In order to make human PIK3 CA mutation-positive breast cancer cell line MDA-MB-453 cells become 500 cells per well in a 384 well non-adhesive plate ...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244231 (US9428501, 49) Show SMILES COc1ccc(CN2CCC(CC2)c2ccn3nc(cc3c2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1 Show InChI InChI=1S/C32H35F3N6O2/c1-43-30-7-4-24(20-36-30)22-38-11-8-25(9-12-38)26-10-13-41-28(18-26)19-29(37-41)31(42)40-16-14-39(15-17-40)21-23-2-5-27(6-3-23)32(33,34)35/h2-7,10,13,18-20,25H,8-9,11-12,14-17,21-22H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	7.5	n/a
Astellas Pharma Inc. US Patent					Assay Description Human PIK3CA mutation-positive breast cancer cell line MDA-MB-453 cells were subcutaneously implanted into nude mice, MDA-MB-453 tumor was excised, a...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244236 (US9428501, 69) Show SMILES CCOc1cnc(CN2CCC(CC2)c2ccc3cc(C(=O)N4CCN(Cc5ccc(cc5)C#N)CC4)n(C)c3c2)cn1 Show InChI InChI=1S/C34H39N7O2/c1-3-43-33-22-36-30(21-37-33)24-39-12-10-27(11-13-39)28-8-9-29-19-32(38(2)31(29)18-28)34(42)41-16-14-40(15-17-41)23-26-6-4-25(20-35)5-7-26/h4-9,18-19,21-22,27H,3,10-17,23-24H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	7.5	n/a
Astellas Pharma Inc. US Patent					Assay Description Human PIK3CA mutation-positive breast cancer cell line MDA-MB-453 cells were subcutaneously implanted into nude mice, MDA-MB-453 tumor was excised, a...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244221 (US9428501, 8) Show SMILES COc1cnc(CN2CCC(CC2)c2ccc3nc([nH]c3c2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1 Show InChI InChI=1S/C31H34F3N7O2/c1-43-28-18-35-25(17-36-28)20-39-10-8-22(9-11-39)23-4-7-26-27(16-23)38-29(37-26)30(42)41-14-12-40(13-15-41)19-21-2-5-24(6-3-21)31(32,33)34/h2-7,16-18,22H,8-15,19-20H2,1H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description In order to make human PIK3 CA mutation-positive breast cancer cell line MDA-MB-453 cells become 500 cells per well in a 384 well non-adhesive plate ...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244228 (US9428501, 37) Show SMILES COc1ccc(CN2CCC(CC2)c2ccc3nc([nH]c3c2)C(=O)N2CCN(Cc3ccc4OC(F)(F)Oc4c3)CC2)cn1 Show InChI InChI=1S/C32H34F2N6O4/c1-42-29-7-3-22(18-35-29)20-38-10-8-23(9-11-38)24-4-5-25-26(17-24)37-30(36-25)31(41)40-14-12-39(13-15-40)19-21-2-6-27-28(16-21)44-32(33,34)43-27/h2-7,16-18,23H,8-15,19-20H2,1H3,(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	7.5	n/a
Astellas Pharma Inc. US Patent					Assay Description Human PIK3CA mutation-positive breast cancer cell line MDA-MB-453 cells were subcutaneously implanted into nude mice, MDA-MB-453 tumor was excised, a...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244225 (US9428501, 23) Show SMILES COc1ccc(CN2CCC(CC2)c2ccc3nc([nH]c3c2)C(=O)N2CCN(Cc3ccc(cc3)C#N)CC2)cn1 Show InChI InChI=1S/C32H35N7O2/c1-41-30-9-6-25(20-34-30)22-37-12-10-26(11-13-37)27-7-8-28-29(18-27)36-31(35-28)32(40)39-16-14-38(15-17-39)21-24-4-2-23(19-33)3-5-24/h2-9,18,20,26H,10-17,21-22H2,1H3,(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description In order to make human PIK3 CA mutation-positive breast cancer cell line MDA-MB-453 cells become 500 cells per well in a 384 well non-adhesive plate ...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244219 (US9428501, 1) Show SMILES COc1ccc(CN2CCC(CC2)c2ccc3[nH]c(nc3c2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1 Show InChI InChI=1S/C32H35F3N6O2/c1-43-29-9-4-23(19-36-29)21-39-12-10-24(11-13-39)25-5-8-27-28(18-25)38-30(37-27)31(42)41-16-14-40(15-17-41)20-22-2-6-26(7-3-22)32(33,34)35/h2-9,18-19,24H,10-17,20-21H2,1H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	41	n/a	n/a	n/a	n/a	7.5	n/a
Astellas Pharma Inc. US Patent					Assay Description Human PIK3CA mutation-positive breast cancer cell line MDA-MB-453 cells were subcutaneously implanted into nude mice, MDA-MB-453 tumor was excised, a...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244227 (US9428501, 36) Show SMILES COc1ccc(CN2CCC(CC2)c2ccn3cc(nc3c2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1 Show InChI InChI=1S/C32H35F3N6O2/c1-43-30-7-4-24(19-36-30)21-38-11-8-25(9-12-38)26-10-13-41-22-28(37-29(41)18-26)31(42)40-16-14-39(15-17-40)20-23-2-5-27(6-3-23)32(33,34)35/h2-7,10,13,18-19,22,25H,8-9,11-12,14-17,20-21H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	7.5	n/a
Astellas Pharma Inc. US Patent					Assay Description Human PIK3CA mutation-positive breast cancer cell line MDA-MB-453 cells were subcutaneously implanted into nude mice, MDA-MB-453 tumor was excised, a...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244229 (US9428501, 38) Show SMILES COc1ccc(CN2CCC(CC2)c2ccc3nc([nH]c3c2)C(=O)N2CCN(Cc3ccc(cc3F)C(F)(F)F)CC2)cn1 Show InChI InChI=1S/C32H34F4N6O2/c1-44-29-7-2-21(18-37-29)19-40-10-8-22(9-11-40)23-4-6-27-28(16-23)39-30(38-27)31(43)42-14-12-41(13-15-42)20-24-3-5-25(17-26(24)33)32(34,35)36/h2-7,16-18,22H,8-15,19-20H2,1H3,(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	59	n/a	n/a	n/a	n/a	7.5	n/a
Astellas Pharma Inc. US Patent					Assay Description Human PIK3CA mutation-positive breast cancer cell line MDA-MB-453 cells were subcutaneously implanted into nude mice, MDA-MB-453 tumor was excised, a...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244220 (US9428501, 7) Show SMILES COc1cnc(CN2CCC(CC2)c2ccc3[nH]c(nc3c2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1 Show InChI InChI=1S/C31H34F3N7O2/c1-43-28-18-35-25(17-36-28)20-39-10-8-22(9-11-39)23-4-7-26-27(16-23)38-29(37-26)30(42)41-14-12-40(13-15-41)19-21-2-5-24(6-3-21)31(32,33)34/h2-7,16-18,22H,8-15,19-20H2,1H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	n/a
Astellas Pharma Inc. US Patent					Assay Description Human PIK3CA mutation-positive breast cancer cell line MDA-MB-453 cells were subcutaneously implanted into nude mice, MDA-MB-453 tumor was excised, a...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244221 (US9428501, 8) Show SMILES COc1cnc(CN2CCC(CC2)c2ccc3nc([nH]c3c2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1 Show InChI InChI=1S/C31H34F3N7O2/c1-43-28-18-35-25(17-36-28)20-39-10-8-22(9-11-39)23-4-7-26-27(16-23)38-29(37-26)30(42)41-14-12-40(13-15-41)19-21-2-5-24(6-3-21)31(32,33)34/h2-7,16-18,22H,8-15,19-20H2,1H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	83	n/a	n/a	n/a	n/a	7.5	n/a
Astellas Pharma Inc. US Patent					Assay Description Human PIK3CA mutation-positive breast cancer cell line MDA-MB-453 cells were subcutaneously implanted into nude mice, MDA-MB-453 tumor was excised, a...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244230 (US9428501, 44) Show SMILES COc1ccc(CN2CCC(CC2)c2cc3cc(C(=O)N4CCN(Cc5ccc(cc5)C(F)(F)F)CC4)n(C)c3cn2)cn1 Show InChI InChI=1S/C33H37F3N6O2/c1-39-29(32(43)42-15-13-41(14-16-42)21-23-3-6-27(7-4-23)33(34,35)36)18-26-17-28(37-20-30(26)39)25-9-11-40(12-10-25)22-24-5-8-31(44-2)38-19-24/h3-8,17-20,25H,9-16,21-22H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	87	n/a	n/a	n/a	n/a	7.5	n/a
Astellas Pharma Inc. US Patent					Assay Description Human PIK3CA mutation-positive breast cancer cell line MDA-MB-453 cells were subcutaneously implanted into nude mice, MDA-MB-453 tumor was excised, a...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244235 (US9428501, 66) Show SMILES CCOc1cnc(CN2CCC(CC2)c2ccc3n(C)c(cc3c2)C(=O)N2CCN(Cc3ccc(cc3)C#N)CC2)cn1 Show InChI InChI=1S/C34H39N7O2/c1-3-43-33-22-36-30(21-37-33)24-39-12-10-27(11-13-39)28-8-9-31-29(18-28)19-32(38(31)2)34(42)41-16-14-40(15-17-41)23-26-6-4-25(20-35)5-7-26/h4-9,18-19,21-22,27H,3,10-17,23-24H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	7.5	n/a
Astellas Pharma Inc. US Patent					Assay Description Human PIK3CA mutation-positive breast cancer cell line MDA-MB-453 cells were subcutaneously implanted into nude mice, MDA-MB-453 tumor was excised, a...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244237 (US9428501, 79) Show SMILES COc1cnc(CN2CCC(CC2)c2ccc3n(C)c(cc3c2)C(=O)N2CCN(Cc3ccc(cc3)C#N)CC2)cn1 Show InChI InChI=1S/C33H37N7O2/c1-37-30-8-7-27(26-9-11-38(12-10-26)23-29-20-36-32(42-2)21-35-29)17-28(30)18-31(37)33(41)40-15-13-39(14-16-40)22-25-5-3-24(19-34)4-6-25/h3-8,17-18,20-21,26H,9-16,22-23H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	7.5	n/a
Astellas Pharma Inc. US Patent					Assay Description Human PIK3CA mutation-positive breast cancer cell line MDA-MB-453 cells were subcutaneously implanted into nude mice, MDA-MB-453 tumor was excised, a...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244225 (US9428501, 23) Show SMILES COc1ccc(CN2CCC(CC2)c2ccc3nc([nH]c3c2)C(=O)N2CCN(Cc3ccc(cc3)C#N)CC2)cn1 Show InChI InChI=1S/C32H35N7O2/c1-41-30-9-6-25(20-34-30)22-37-12-10-26(11-13-37)27-7-8-28-29(18-27)36-31(35-28)32(40)39-16-14-38(15-17-39)21-24-4-2-23(19-33)3-5-24/h2-9,18,20,26H,10-17,21-22H2,1H3,(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	160	n/a	n/a	n/a	n/a	7.5	n/a
Astellas Pharma Inc. US Patent					Assay Description Human PIK3CA mutation-positive breast cancer cell line MDA-MB-453 cells were subcutaneously implanted into nude mice, MDA-MB-453 tumor was excised, a...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM244231 (US9428501, 49) Show SMILES COc1ccc(CN2CCC(CC2)c2ccn3nc(cc3c2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1 Show InChI InChI=1S/C32H35F3N6O2/c1-43-30-7-4-24(20-36-30)22-38-11-8-25(9-12-38)26-10-13-41-28(18-26)19-29(37-41)31(42)40-16-14-39(15-17-40)21-23-2-5-27(6-3-23)32(33,34)35/h2-7,10,13,18-20,25H,8-9,11-12,14-17,21-22H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.5	n/a	n/a	n/a	37
Astellas Pharma Inc. US Patent					Assay Description In order to make MDA-MB-453 cell become 15000 cells per well, each 36 μl was seeded in Leibovitz's L-15 medium including 10% fetal bovine serum (m...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM244230 (US9428501, 44) Show SMILES COc1ccc(CN2CCC(CC2)c2cc3cc(C(=O)N4CCN(Cc5ccc(cc5)C(F)(F)F)CC4)n(C)c3cn2)cn1 Show InChI InChI=1S/C33H37F3N6O2/c1-39-29(32(43)42-15-13-41(14-16-42)21-23-3-6-27(7-4-23)33(34,35)36)18-26-17-28(37-20-30(26)39)25-9-11-40(12-10-25)22-24-5-8-31(44-2)38-19-24/h3-8,17-20,25H,9-16,21-22H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.20	n/a	n/a	n/a	37
Astellas Pharma Inc. US Patent					Assay Description In order to make MDA-MB-453 cell become 15000 cells per well, each 36 μl was seeded in Leibovitz's L-15 medium including 10% fetal bovine serum (m...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM244229 (US9428501, 38) Show SMILES COc1ccc(CN2CCC(CC2)c2ccc3nc([nH]c3c2)C(=O)N2CCN(Cc3ccc(cc3F)C(F)(F)F)CC2)cn1 Show InChI InChI=1S/C32H34F4N6O2/c1-44-29-7-2-21(18-37-29)19-40-10-8-22(9-11-40)23-4-6-27-28(16-23)39-30(38-27)31(43)42-14-12-41(13-15-42)20-24-3-5-25(17-26(24)33)32(34,35)36/h2-7,16-18,22H,8-15,19-20H2,1H3,(H,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	37
Astellas Pharma Inc. US Patent					Assay Description In order to make MDA-MB-453 cell become 15000 cells per well, each 36 μl was seeded in Leibovitz's L-15 medium including 10% fetal bovine serum (m...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM244228 (US9428501, 37) Show SMILES COc1ccc(CN2CCC(CC2)c2ccc3nc([nH]c3c2)C(=O)N2CCN(Cc3ccc4OC(F)(F)Oc4c3)CC2)cn1 Show InChI InChI=1S/C32H34F2N6O4/c1-42-29-7-3-22(18-35-29)20-38-10-8-23(9-11-38)24-4-5-25-26(17-24)37-30(36-25)31(41)40-14-12-39(13-15-40)19-21-2-6-27-28(16-21)44-32(33,34)43-27/h2-7,16-18,23H,8-15,19-20H2,1H3,(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	37
Astellas Pharma Inc. US Patent					Assay Description In order to make MDA-MB-453 cell become 15000 cells per well, each 36 μl was seeded in Leibovitz's L-15 medium including 10% fetal bovine serum (m...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM244227 (US9428501, 36) Show SMILES COc1ccc(CN2CCC(CC2)c2ccn3cc(nc3c2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1 Show InChI InChI=1S/C32H35F3N6O2/c1-43-30-7-4-24(19-36-30)21-38-11-8-25(9-12-38)26-10-13-41-22-28(37-29(41)18-26)31(42)40-16-14-39(15-17-40)20-23-2-5-27(6-3-23)32(33,34)35/h2-7,10,13,18-19,22,25H,8-9,11-12,14-17,20-21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.10	n/a	n/a	n/a	37
Astellas Pharma Inc. US Patent					Assay Description In order to make MDA-MB-453 cell become 15000 cells per well, each 36 μl was seeded in Leibovitz's L-15 medium including 10% fetal bovine serum (m...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM244226 (US9428501, 35) Show SMILES COc1ccc(CN2CCC(CC2)c2ccc3nc(cn3c2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1 Show InChI InChI=1S/C32H35F3N6O2/c1-43-30-9-4-24(18-36-30)20-38-12-10-25(11-13-38)26-5-8-29-37-28(22-41(29)21-26)31(42)40-16-14-39(15-17-40)19-23-2-6-27(7-3-23)32(33,34)35/h2-9,18,21-22,25H,10-17,19-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.60	n/a	n/a	n/a	37
Astellas Pharma Inc. US Patent					Assay Description In order to make MDA-MB-453 cell become 15000 cells per well, each 36 μl was seeded in Leibovitz's L-15 medium including 10% fetal bovine serum (m...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM244225 (US9428501, 23) Show SMILES COc1ccc(CN2CCC(CC2)c2ccc3nc([nH]c3c2)C(=O)N2CCN(Cc3ccc(cc3)C#N)CC2)cn1 Show InChI InChI=1S/C32H35N7O2/c1-41-30-9-6-25(20-34-30)22-37-12-10-26(11-13-37)27-7-8-28-29(18-27)36-31(35-28)32(40)39-16-14-38(15-17-39)21-24-4-2-23(19-33)3-5-24/h2-9,18,20,26H,10-17,21-22H2,1H3,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	37
Astellas Pharma Inc. US Patent					Assay Description In order to make MDA-MB-453 cell become 15000 cells per well, each 36 μl was seeded in Leibovitz's L-15 medium including 10% fetal bovine serum (m...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM244224 (US9428501, 19) Show SMILES COc1ccc(CN2CCC(CC2)c2ccc3n(C)c(nc3c2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1 Show InChI InChI=1S/C33H37F3N6O2/c1-39-29-9-6-26(25-11-13-40(14-12-25)22-24-5-10-30(44-2)37-20-24)19-28(29)38-31(39)32(43)42-17-15-41(16-18-42)21-23-3-7-27(8-4-23)33(34,35)36/h3-10,19-20,25H,11-18,21-22H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	37
Astellas Pharma Inc. US Patent					Assay Description In order to make MDA-MB-453 cell become 15000 cells per well, each 36 μl was seeded in Leibovitz's L-15 medium including 10% fetal bovine serum (m...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM244223 (US9428501, 18) Show SMILES COc1ccc(CN2CCC(CC2)c2ccc3nc(C(=O)N4CCN(Cc5ccc(cc5)C(F)(F)F)CC4)n(C)c3c2)cn1 Show InChI InChI=1S/C33H37F3N6O2/c1-39-29-19-26(25-11-13-40(14-12-25)22-24-5-10-30(44-2)37-20-24)6-9-28(29)38-31(39)32(43)42-17-15-41(16-18-42)21-23-3-7-27(8-4-23)33(34,35)36/h3-10,19-20,25H,11-18,21-22H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	37
Astellas Pharma Inc. US Patent					Assay Description In order to make MDA-MB-453 cell become 15000 cells per well, each 36 μl was seeded in Leibovitz's L-15 medium including 10% fetal bovine serum (m...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM244222 (US9428501, 14) Show SMILES COc1ccc(CN2CCC(CC2)c2ccc3nc([nH]c3c2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cc1 Show InChI InChI=1S/C33H36F3N5O2/c1-43-28-9-4-24(5-10-28)21-39-14-12-25(13-15-39)26-6-11-29-30(20-26)38-31(37-29)32(42)41-18-16-40(17-19-41)22-23-2-7-27(8-3-23)33(34,35)36/h2-11,20,25H,12-19,21-22H2,1H3,(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	34	n/a	n/a	n/a	37
Astellas Pharma Inc. US Patent					Assay Description In order to make MDA-MB-453 cell become 15000 cells per well, each 36 μl was seeded in Leibovitz's L-15 medium including 10% fetal bovine serum (m...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM244221 (US9428501, 8) Show SMILES COc1cnc(CN2CCC(CC2)c2ccc3nc([nH]c3c2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1 Show InChI InChI=1S/C31H34F3N7O2/c1-43-28-18-35-25(17-36-28)20-39-10-8-22(9-11-39)23-4-7-26-27(16-23)38-29(37-26)30(42)41-14-12-40(13-15-41)19-21-2-5-24(6-3-21)31(32,33)34/h2-7,16-18,22H,8-15,19-20H2,1H3,(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	37
Astellas Pharma Inc. US Patent					Assay Description In order to make MDA-MB-453 cell become 15000 cells per well, each 36 μl was seeded in Leibovitz's L-15 medium including 10% fetal bovine serum (m...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM244220 (US9428501, 7) Show SMILES COc1cnc(CN2CCC(CC2)c2ccc3[nH]c(nc3c2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1 Show InChI InChI=1S/C31H34F3N7O2/c1-43-28-18-35-25(17-36-28)20-39-10-8-22(9-11-39)23-4-7-26-27(16-23)38-29(37-26)30(42)41-14-12-40(13-15-41)19-21-2-5-24(6-3-21)31(32,33)34/h2-7,16-18,22H,8-15,19-20H2,1H3,(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	8.30	n/a	n/a	n/a	37
Astellas Pharma Inc. US Patent					Assay Description In order to make MDA-MB-453 cell become 15000 cells per well, each 36 μl was seeded in Leibovitz's L-15 medium including 10% fetal bovine serum (m...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM244219 (US9428501, 1) Show SMILES COc1ccc(CN2CCC(CC2)c2ccc3[nH]c(nc3c2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1 Show InChI InChI=1S/C32H35F3N6O2/c1-43-29-9-4-23(19-36-29)21-39-12-10-24(11-13-39)25-5-8-27-28(18-25)38-30(37-27)31(42)41-16-14-40(15-17-41)20-22-2-6-26(7-3-22)32(33,34)35/h2-9,18-19,24H,10-17,20-21H2,1H3,(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	24	n/a	n/a	n/a	37
Astellas Pharma Inc. US Patent					Assay Description In order to make MDA-MB-453 cell become 15000 cells per well, each 36 μl was seeded in Leibovitz's L-15 medium including 10% fetal bovine serum (m...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM244237 (US9428501, 79) Show SMILES COc1cnc(CN2CCC(CC2)c2ccc3n(C)c(cc3c2)C(=O)N2CCN(Cc3ccc(cc3)C#N)CC2)cn1 Show InChI InChI=1S/C33H37N7O2/c1-37-30-8-7-27(26-9-11-38(12-10-26)23-29-20-36-32(42-2)21-35-29)17-28(30)18-31(37)33(41)40-15-13-39(14-16-40)22-25-5-3-24(19-34)4-6-25/h3-8,17-18,20-21,26H,9-16,22-23H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.30	n/a	n/a	n/a	37
Astellas Pharma Inc. US Patent					Assay Description In order to make MDA-MB-453 cell become 15000 cells per well, each 36 μl was seeded in Leibovitz's L-15 medium including 10% fetal bovine serum (m...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM244236 (US9428501, 69) Show SMILES CCOc1cnc(CN2CCC(CC2)c2ccc3cc(C(=O)N4CCN(Cc5ccc(cc5)C#N)CC4)n(C)c3c2)cn1 Show InChI InChI=1S/C34H39N7O2/c1-3-43-33-22-36-30(21-37-33)24-39-12-10-27(11-13-39)28-8-9-29-19-32(38(2)31(29)18-28)34(42)41-16-14-40(15-17-41)23-26-6-4-25(20-35)5-7-26/h4-9,18-19,21-22,27H,3,10-17,23-24H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.80	n/a	n/a	n/a	37
Astellas Pharma Inc. US Patent					Assay Description In order to make MDA-MB-453 cell become 15000 cells per well, each 36 μl was seeded in Leibovitz's L-15 medium including 10% fetal bovine serum (m...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM244235 (US9428501, 66) Show SMILES CCOc1cnc(CN2CCC(CC2)c2ccc3n(C)c(cc3c2)C(=O)N2CCN(Cc3ccc(cc3)C#N)CC2)cn1 Show InChI InChI=1S/C34H39N7O2/c1-3-43-33-22-36-30(21-37-33)24-39-12-10-27(11-13-39)28-8-9-31-29(18-28)19-32(38(31)2)34(42)41-16-14-40(15-17-41)23-26-6-4-25(20-35)5-7-26/h4-9,18-19,21-22,27H,3,10-17,23-24H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.80	n/a	n/a	n/a	37
Astellas Pharma Inc. US Patent					Assay Description In order to make MDA-MB-453 cell become 15000 cells per well, each 36 μl was seeded in Leibovitz's L-15 medium including 10% fetal bovine serum (m...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 53 total )  |  Next  |  Last  >>

Jump to: