Compile Data Set for Download or QSAR

Found 96 hits Enz. Inhib. hit(s) with all data for entry = 50000991   

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 delta isoform (Homo sapiens (Human))	BDBM50267130 (CHEMBL4096987) Show SMILES [H][C@]12CCc3nnc(n3[C@@]1([H])CCN(Cc1cc3nc(nc(N4CCOCC4)c3s1)-c1cccc(O)c1)C2)C(F)(F)F |r| Show InChI InChI=1S/C27H28F3N7O2S/c28-27(29,30)26-34-33-22-5-4-17-14-35(7-6-21(17)37(22)26)15-19-13-20-23(40-19)25(36-8-10-39-11-9-36)32-24(31-20)16-2-1-3-18(38)12-16/h1-3,12-13,17,21,38H,4-11,14-15H2/t17-,21+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50267123 (CHEMBL4094734) Show SMILES [H][C@@]12CCc3nnc(C)n3[C@@]1([H])CCN(Cc1cc3nc(nc(N4CCOCC4)c3s1)-c1cccc(O)c1)C2 |r| Show InChI InChI=1S/C27H31N7O2S/c1-17-30-31-24-6-5-19-15-32(8-7-23(19)34(17)24)16-21-14-22-25(37-21)27(33-9-11-36-12-10-33)29-26(28-22)18-3-2-4-20(35)13-18/h2-4,13-14,19,23,35H,5-12,15-16H2,1H3/t19-,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50267133 (CHEMBL4081998) Show SMILES [H][C@]12CCc3nnc(C)n3[C@@]1([H])CCN(Cc1cc3nc(nc(N4CCOCC4)c3s1)-c1cccc3[nH]ccc13)C2 |r| Show InChI InChI=1S/C29H32N8OS/c1-18-33-34-26-6-5-19-16-35(10-8-25(19)37(18)26)17-20-15-24-27(39-20)29(36-11-13-38-14-12-36)32-28(31-24)22-3-2-4-23-21(22)7-9-30-23/h2-4,7,9,15,19,25,30H,5-6,8,10-14,16-17H2,1H3/t19-,25+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50267132 (CHEMBL4068538) Show SMILES [H][C@]12CCc3nnc(n3[C@@]1([H])CCN(Cc1cc3nc(nc(N4CCOCC4)c3s1)-c1cccc3[nH]ccc13)C2)C(F)(F)F |r| Show InChI InChI=1S/C29H29F3N8OS/c30-29(31,32)28-37-36-24-5-4-17-15-38(9-7-23(17)40(24)28)16-18-14-22-25(42-18)27(39-10-12-41-13-11-39)35-26(34-22)20-2-1-3-21-19(20)6-8-33-21/h1-3,6,8,14,17,23,33H,4-5,7,9-13,15-16H2/t17-,23+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50267127 (CHEMBL4061794) Show SMILES [H][C@@]12CCc3nnc(C)n3[C@@]1([H])CCN(Cc1cc3nc(nc(N4CCOCC4)c3s1)-c1cccc3[nH]ccc13)C2 |r| Show InChI InChI=1S/C29H32N8OS/c1-18-33-34-26-6-5-19-16-35(10-8-25(19)37(18)26)17-20-15-24-27(39-20)29(36-11-13-38-14-12-36)32-28(31-24)22-3-2-4-23-21(22)7-9-30-23/h2-4,7,9,15,19,25,30H,5-6,8,10-14,16-17H2,1H3/t19-,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50267120 (CHEMBL4071462) Show SMILES [H][C@@]12CCc3nnc(n3[C@@]1([H])CCN(Cc1cc3nc(nc(N4CCOCC4)c3s1)-c1cccc(O)c1)C2)C(F)(F)F |r| Show InChI InChI=1S/C27H28F3N7O2S/c28-27(29,30)26-34-33-22-5-4-17-14-35(7-6-21(17)37(22)26)15-19-13-20-23(40-19)25(36-8-10-39-11-9-36)32-24(31-20)16-2-1-3-18(38)12-16/h1-3,12-13,17,21,38H,4-11,14-15H2/t17-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50267122 (CHEMBL4097593) Show SMILES [H][C@@]12CCc3nnc(n3[C@@]1([H])CCN(Cc1cc3nc(nc(N4CCOCC4)c3s1)-c1cccc3[nH]ccc13)C2)C(F)(F)F |r| Show InChI InChI=1S/C29H29F3N8OS/c30-29(31,32)28-37-36-24-5-4-17-15-38(9-7-23(17)40(24)28)16-18-14-22-25(42-18)27(39-10-12-41-13-11-39)35-26(34-22)20-2-1-3-21-19(20)6-8-33-21/h1-3,6,8,14,17,23,33H,4-5,7,9-13,15-16H2/t17-,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50267129 (CHEMBL4078972) Show SMILES [H][C@]12CCc3nnc(n3[C@@]1([H])CCN(Cc1cc3nc(nc(N4CCOCC4)c3s1)-c1cccc3[nH]ncc13)C2)C(F)(F)F |r| Show InChI InChI=1S/C28H28F3N9OS/c29-28(30,31)27-37-36-23-5-4-16-14-38(7-6-22(16)40(23)27)15-17-12-21-24(42-17)26(39-8-10-41-11-9-39)34-25(33-21)18-2-1-3-20-19(18)13-32-35-20/h1-3,12-13,16,22H,4-11,14-15H2,(H,32,35)/t16-,22+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50267167 (CHEMBL4081413) Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2sc(CN3CCC(CC3)n3cnnc3C(F)(F)F)cc2n1 Show InChI InChI=1S/C25H26F3N7O2S/c26-25(27,28)24-32-29-15-35(24)17-4-6-33(7-5-17)14-19-13-20-21(38-19)23(34-8-10-37-11-9-34)31-22(30-20)16-2-1-3-18(36)12-16/h1-3,12-13,15,17,36H,4-11,14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50267131 (CHEMBL4100380) Show SMILES [H][C@]12CCc3nnc(C)n3[C@@]1([H])CCN(Cc1cc3nc(nc(N4CCOCC4)c3s1)-c1cccc3[nH]ncc13)C2 |r| Show InChI InChI=1S/C28H31N9OS/c1-17-32-34-25-6-5-18-15-35(8-7-24(18)37(17)25)16-19-13-23-26(39-19)28(36-9-11-38-12-10-36)31-27(30-23)20-3-2-4-22-21(20)14-29-33-22/h2-4,13-14,18,24H,5-12,15-16H2,1H3,(H,29,33)/t18-,24+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50392138 (CHEMBL2152768) Show SMILES CC(C)(O)C1CCN(Cc2ccc3nc(nc(N4CCOCC4)c3n2)-c2c(F)ccc3[nH]ccc23)CC1 Show InChI InChI=1S/C28H33FN6O2/c1-28(2,36)18-8-11-34(12-9-18)17-19-3-5-23-25(31-19)27(35-13-15-37-16-14-35)33-26(32-23)24-20-7-10-30-22(20)6-4-21(24)29/h3-7,10,18,30,36H,8-9,11-17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50267121 (CHEMBL4070417) Show SMILES [H][C@@]12CCc3nnc(C)n3[C@@]1([H])CCN(Cc1cc3nc(nc(N4CCOCC4)c3s1)-c1cccc3[nH]ncc13)C2 |r| Show InChI InChI=1S/C28H31N9OS/c1-17-32-34-25-6-5-18-15-35(8-7-24(18)37(17)25)16-19-13-23-26(39-19)28(36-9-11-38-12-10-36)31-27(30-23)20-3-2-4-22-21(20)14-29-33-22/h2-4,13-14,18,24H,5-12,15-16H2,1H3,(H,29,33)/t18-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50267164 (CHEMBL4068098) Show SMILES Cc1nncn1C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc(O)c2)CC1 Show InChI InChI=1S/C25H29N7O2S/c1-17-29-26-16-32(17)19-5-7-30(8-6-19)15-21-14-22-23(35-21)25(31-9-11-34-12-10-31)28-24(27-22)18-3-2-4-20(33)13-18/h2-4,13-14,16,19,33H,5-12,15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50267166 (CHEMBL4105669) Show SMILES Cc1nncn1C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)CC1 Show InChI InChI=1S/C27H30N8OS/c1-18-32-29-17-35(18)19-6-9-33(10-7-19)16-20-15-24-25(37-20)27(34-11-13-36-14-12-34)31-26(30-24)22-3-2-4-23-21(22)5-8-28-23/h2-5,8,15,17,19,28H,6-7,9-14,16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50267134 (CHEMBL4092258) Show SMILES [H][C@@]12CCc3nnc(n3[C@@]1([H])CCN(Cc1cc3nc(nc(N4CCOCC4)c3s1)-c1cccc3[nH]ncc13)C2)C(F)(F)F |r| Show InChI InChI=1S/C28H28F3N9OS/c29-28(30,31)27-37-36-23-5-4-16-14-38(7-6-22(16)40(23)27)15-17-12-21-24(42-17)26(39-8-10-41-11-9-39)34-25(33-21)18-2-1-3-20-19(18)13-32-35-20/h1-3,12-13,16,22H,4-11,14-15H2,(H,32,35)/t16-,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50267165 (CHEMBL4089288) Show SMILES Cc1nncn1C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C26H29N9OS/c1-17-31-28-16-35(17)18-5-7-33(8-6-18)15-19-13-23-24(37-19)26(34-9-11-36-12-10-34)30-25(29-23)20-3-2-4-22-21(20)14-27-32-22/h2-4,13-14,16,18H,5-12,15H2,1H3,(H,27,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM25028 (4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...) Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50267128 (CHEMBL4104716) Show SMILES FC(F)(F)c1nncn1C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)CC1 Show InChI InChI=1S/C27H27F3N8OS/c28-27(29,30)26-35-32-16-38(26)17-5-8-36(9-6-17)15-18-14-22-23(40-18)25(37-10-12-39-13-11-37)34-24(33-22)20-2-1-3-21-19(20)4-7-31-21/h1-4,7,14,16-17,31H,5-6,8-13,15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50267159 (CHEMBL4086820) Show SMILES FC(F)(F)c1nncn1C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C26H26F3N9OS/c27-26(28,29)25-35-31-15-38(25)16-4-6-36(7-5-16)14-17-12-21-22(40-17)24(37-8-10-39-11-9-37)33-23(32-21)18-2-1-3-20-19(18)13-30-34-20/h1-3,12-13,15-16H,4-11,14H2,(H,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11162 ((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...) Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 expressed in HEK293 cells using H-Gly-Pro-AMC as substrate measured over 15 mins by fluorescence analysis				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11162 ((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...) Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 expressed in HEK293 cells using H-Gly-Pro-AMC as substrate measured over 15 mins by fluorescence analysis				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50086237 (CHEMBL3425747) Show SMILES [H][C@@]12CCc3nnc(n3[C@]1([H])CCN(C2)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(F)(F)F |r| Show InChI InChI=1S/C20H21F6N5O/c21-13-8-15(23)14(22)6-11(13)5-12(27)7-18(32)30-4-3-16-10(9-30)1-2-17-28-29-19(31(16)17)20(24,25)26/h6,8,10,12,16H,1-5,7,9,27H2/t10-,12+,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 expressed in HEK293 cells using H-Gly-Pro-AMC as substrate measured over 15 mins by fluorescence analysis				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50267162 (CHEMBL4063983) Show SMILES Cl.[H][C@@]12CCc3nnc(C)n3[C@]1([H])CCN(C2)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H24F3N5O.ClH/c1-11-25-26-19-3-2-12-10-27(5-4-18(12)28(11)19)20(29)8-14(24)6-13-7-16(22)17(23)9-15(13)21;/h7,9,12,14,18H,2-6,8,10,24H2,1H3;1H/t12-,14+,18+;/m0./s1	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	28	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 expressed in HEK293 cells using H-Gly-Pro-AMC as substrate measured over 15 mins by fluorescence analysis				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50267162 (CHEMBL4063983) Show SMILES Cl.[H][C@@]12CCc3nnc(C)n3[C@]1([H])CCN(C2)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H24F3N5O.ClH/c1-11-25-26-19-3-2-12-10-27(5-4-18(12)28(11)19)20(29)8-14(24)6-13-7-16(22)17(23)9-15(13)21;/h7,9,12,14,18H,2-6,8,10,24H2,1H3;1H/t12-,14+,18+;/m0./s1	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	28	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 expressed in HEK293 cells using H-Gly-Pro-AMC as substrate measured over 15 mins by fluorescence analysis				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50086237 (CHEMBL3425747) Show SMILES [H][C@@]12CCc3nnc(n3[C@]1([H])CCN(C2)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(F)(F)F |r| Show InChI InChI=1S/C20H21F6N5O/c21-13-8-15(23)14(22)6-11(13)5-12(27)7-18(32)30-4-3-16-10(9-30)1-2-17-28-29-19(31(16)17)20(24,25)26/h6,8,10,12,16H,1-5,7,9,27H2/t10-,12+,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 expressed in HEK293 cells using H-Gly-Pro-AMC as substrate measured over 15 mins by fluorescence analysis				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50267163 (CHEMBL4085550) Show SMILES Cl.[H][C@@]12CCc3nnc(C(C)C)n3[C@]1([H])CCN(C2)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C22H28F3N5O.ClH/c1-12(2)22-28-27-20-4-3-13-11-29(6-5-19(13)30(20)22)21(31)9-15(26)7-14-8-17(24)18(25)10-16(14)23;/h8,10,12-13,15,19H,3-7,9,11,26H2,1-2H3;1H/t13-,15+,19+;/m0./s1	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	32	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 expressed in HEK293 cells using H-Gly-Pro-AMC as substrate measured over 15 mins by fluorescence analysis				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50267120 (CHEMBL4071462) Show SMILES [H][C@@]12CCc3nnc(n3[C@@]1([H])CCN(Cc1cc3nc(nc(N4CCOCC4)c3s1)-c1cccc(O)c1)C2)C(F)(F)F |r| Show InChI InChI=1S/C27H28F3N7O2S/c28-27(29,30)26-34-33-22-5-4-17-14-35(7-6-21(17)37(22)26)15-19-13-20-23(40-19)25(36-8-10-39-11-9-36)32-24(31-20)16-2-1-3-18(38)12-16/h1-3,12-13,17,21,38H,4-11,14-15H2/t17-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50267163 (CHEMBL4085550) Show SMILES Cl.[H][C@@]12CCc3nnc(C(C)C)n3[C@]1([H])CCN(C2)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C22H28F3N5O.ClH/c1-12(2)22-28-27-20-4-3-13-11-29(6-5-19(13)30(20)22)21(31)9-15(26)7-14-8-17(24)18(25)10-16(14)23;/h8,10,12-13,15,19H,3-7,9,11,26H2,1-2H3;1H/t13-,15+,19+;/m0./s1	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	32	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 expressed in HEK293 cells using H-Gly-Pro-AMC as substrate measured over 15 mins by fluorescence analysis				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50267179 (CHEMBL4062977) Show SMILES Cl.[H][C@@]12CCc3nnc(-c4ccccn4)n3[C@]1([H])CCN(C2)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C24H25F3N6O.ClH/c25-17-12-19(27)18(26)10-15(17)9-16(28)11-23(34)32-8-6-21-14(13-32)4-5-22-30-31-24(33(21)22)20-3-1-2-7-29-20;/h1-3,7,10,12,14,16,21H,4-6,8-9,11,13,28H2;1H/t14-,16+,21+;/m0./s1	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	43	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 expressed in HEK293 cells using H-Gly-Pro-AMC as substrate measured over 15 mins by fluorescence analysis				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50267120 (CHEMBL4071462) Show SMILES [H][C@@]12CCc3nnc(n3[C@@]1([H])CCN(Cc1cc3nc(nc(N4CCOCC4)c3s1)-c1cccc(O)c1)C2)C(F)(F)F |r| Show InChI InChI=1S/C27H28F3N7O2S/c28-27(29,30)26-34-33-22-5-4-17-14-35(7-6-21(17)37(22)26)15-19-13-20-23(40-19)25(36-8-10-39-11-9-36)32-24(31-20)16-2-1-3-18(38)12-16/h1-3,12-13,17,21,38H,4-11,14-15H2/t17-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pre...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50267130 (CHEMBL4096987) Show SMILES [H][C@]12CCc3nnc(n3[C@@]1([H])CCN(Cc1cc3nc(nc(N4CCOCC4)c3s1)-c1cccc(O)c1)C2)C(F)(F)F |r| Show InChI InChI=1S/C27H28F3N7O2S/c28-27(29,30)26-34-33-22-5-4-17-14-35(7-6-21(17)37(22)26)15-19-13-20-23(40-19)25(36-8-10-39-11-9-36)32-24(31-20)16-2-1-3-18(38)12-16/h1-3,12-13,17,21,38H,4-11,14-15H2/t17-,21+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pre...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50267149 (CHEMBL4071607) Show SMILES Cl.[H][C@@]12CCc3nnc(-c4csc(C)n4)n3[C@]1([H])CCN(C2)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C23H25F3N6OS.ClH/c1-12-28-19(11-34-12)23-30-29-21-3-2-13-10-31(5-4-20(13)32(21)23)22(33)8-15(27)6-14-7-17(25)18(26)9-16(14)24;/h7,9,11,13,15,20H,2-6,8,10,27H2,1H3;1H/t13-,15+,20+;/m0./s1	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	50	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 expressed in HEK293 cells using H-Gly-Pro-AMC as substrate measured over 15 mins by fluorescence analysis				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM25028 (4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...) Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50267148 (CHEMBL4090906) Show SMILES Cl.[H][C@@]12CCc3nnc(-c4cnccn4)n3[C@]1([H])CCN(C2)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C23H24F3N7O.ClH/c24-16-10-18(26)17(25)8-14(16)7-15(27)9-22(34)32-6-3-20-13(12-32)1-2-21-30-31-23(33(20)21)19-11-28-4-5-29-19;/h4-5,8,10-11,13,15,20H,1-3,6-7,9,12,27H2;1H/t13-,15+,20+;/m0./s1	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	60	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 expressed in HEK293 cells using H-Gly-Pro-AMC as substrate measured over 15 mins by fluorescence analysis				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50267167 (CHEMBL4081413) Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2sc(CN3CCC(CC3)n3cnnc3C(F)(F)F)cc2n1 Show InChI InChI=1S/C25H26F3N7O2S/c26-25(27,28)24-32-29-15-35(24)17-4-6-33(7-5-17)14-19-13-20-21(38-19)23(34-8-10-37-11-9-34)31-22(30-20)16-2-1-3-18(36)12-16/h1-3,12-13,15,17,36H,4-11,14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50267130 (CHEMBL4096987) Show SMILES [H][C@]12CCc3nnc(n3[C@@]1([H])CCN(Cc1cc3nc(nc(N4CCOCC4)c3s1)-c1cccc(O)c1)C2)C(F)(F)F |r| Show InChI InChI=1S/C27H28F3N7O2S/c28-27(29,30)26-34-33-22-5-4-17-14-35(7-6-21(17)37(22)26)15-19-13-20-23(40-19)25(36-8-10-39-11-9-36)32-24(31-20)16-2-1-3-18(38)12-16/h1-3,12-13,17,21,38H,4-11,14-15H2/t17-,21+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50267168 (CHEMBL4066703) Show SMILES [H][C@]12CCc3nnc(n3[C@@]1([H])CCN(C2)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(F)(F)F |r| Show InChI InChI=1S/C20H21F6N5O/c21-13-8-15(23)14(22)6-11(13)5-12(27)7-18(32)30-4-3-16-10(9-30)1-2-17-28-29-19(31(16)17)20(24,25)26/h6,8,10,12,16H,1-5,7,9,27H2/t10-,12-,16+/m1/s1	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	70	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 expressed in HEK293 cells using H-Gly-Pro-AMC as substrate measured over 15 mins by fluorescence analysis				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50267167 (CHEMBL4081413) Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2sc(CN3CCC(CC3)n3cnnc3C(F)(F)F)cc2n1 Show InChI InChI=1S/C25H26F3N7O2S/c26-25(27,28)24-32-29-15-35(24)17-4-6-33(7-5-17)14-19-13-20-21(38-19)23(34-8-10-37-11-9-34)31-22(30-20)16-2-1-3-18(36)12-16/h1-3,12-13,15,17,36H,4-11,14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pre...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50267132 (CHEMBL4068538) Show SMILES [H][C@]12CCc3nnc(n3[C@@]1([H])CCN(Cc1cc3nc(nc(N4CCOCC4)c3s1)-c1cccc3[nH]ccc13)C2)C(F)(F)F |r| Show InChI InChI=1S/C29H29F3N8OS/c30-29(31,32)28-37-36-24-5-4-17-15-38(9-7-23(17)40(24)28)16-18-14-22-25(42-18)27(39-10-12-41-13-11-39)35-26(34-22)20-2-1-3-21-19(20)6-8-33-21/h1-3,6,8,14,17,23,33H,4-5,7,9-13,15-16H2/t17-,23+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pre...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50267164 (CHEMBL4068098) Show SMILES Cc1nncn1C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc(O)c2)CC1 Show InChI InChI=1S/C25H29N7O2S/c1-17-29-26-16-32(17)19-5-7-30(8-6-19)15-21-14-22-23(35-21)25(31-9-11-34-12-10-31)28-24(27-22)18-3-2-4-20(33)13-18/h2-4,13-14,16,19,33H,5-12,15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50267123 (CHEMBL4094734) Show SMILES [H][C@@]12CCc3nnc(C)n3[C@@]1([H])CCN(Cc1cc3nc(nc(N4CCOCC4)c3s1)-c1cccc(O)c1)C2 |r| Show InChI InChI=1S/C27H31N7O2S/c1-17-30-31-24-6-5-19-15-32(8-7-23(19)34(17)24)16-21-14-22-25(37-21)27(33-9-11-36-12-10-33)29-26(28-22)18-3-2-4-20(35)13-18/h2-4,13-14,19,23,35H,5-12,15-16H2,1H3/t19-,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50267177 (CHEMBL4077174) Show SMILES Cl.[H][C@@]12CCc3nnc(Cc4ccccc4)n3[C@]1([H])CCN(C2)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C26H28F3N5O.ClH/c27-20-14-22(29)21(28)12-18(20)11-19(30)13-26(35)33-9-8-23-17(15-33)6-7-24-31-32-25(34(23)24)10-16-4-2-1-3-5-16;/h1-5,12,14,17,19,23H,6-11,13,15,30H2;1H/t17-,19+,23+;/m0./s1	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	123	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 expressed in HEK293 cells using H-Gly-Pro-AMC as substrate measured over 15 mins by fluorescence analysis				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50267123 (CHEMBL4094734) Show SMILES [H][C@@]12CCc3nnc(C)n3[C@@]1([H])CCN(Cc1cc3nc(nc(N4CCOCC4)c3s1)-c1cccc(O)c1)C2 |r| Show InChI InChI=1S/C27H31N7O2S/c1-17-30-31-24-6-5-19-15-32(8-7-23(19)34(17)24)16-21-14-22-25(37-21)27(33-9-11-36-12-10-33)29-26(28-22)18-3-2-4-20(35)13-18/h2-4,13-14,19,23,35H,5-12,15-16H2,1H3/t19-,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pre...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50267178 (CHEMBL4093298) Show SMILES Cl.[H][C@@]12CCc3nnc(-c4cccc(OCC)n4)n3[C@]1([H])CCN(C2)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C26H29F3N6O2.ClH/c1-2-37-24-5-3-4-21(31-24)26-33-32-23-7-6-15-14-34(9-8-22(15)35(23)26)25(36)12-17(30)10-16-11-19(28)20(29)13-18(16)27;/h3-5,11,13,15,17,22H,2,6-10,12,14,30H2,1H3;1H/t15-,17+,22+;/m0./s1	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	139	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 expressed in HEK293 cells using H-Gly-Pro-AMC as substrate measured over 15 mins by fluorescence analysis				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50086238 (CHEMBL3425748) Show SMILES [H][C@]12CCc3nnc(n3[C@]1([H])CCN(C2)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(F)(F)F |r| Show InChI InChI=1S/C20H21F6N5O/c21-13-8-15(23)14(22)6-11(13)5-12(27)7-18(32)30-4-3-16-10(9-30)1-2-17-28-29-19(31(16)17)20(24,25)26/h6,8,10,12,16H,1-5,7,9,27H2/t10-,12-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 expressed in HEK293 cells using H-Gly-Pro-AMC as substrate measured over 15 mins by fluorescence analysis				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50267158 (CHEMBL4098632) Show SMILES Cl.[H][C@]12CCc3nnc(C(C)C)n3[C@]1([H])CCN(C2)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C22H28F3N5O.ClH/c1-12(2)22-28-27-20-4-3-13-11-29(6-5-19(13)30(20)22)21(31)9-15(26)7-14-8-17(24)18(25)10-16(14)23;/h8,10,12-13,15,19H,3-7,9,11,26H2,1-2H3;1H/t13-,15-,19-;/m1./s1	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	152	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 expressed in HEK293 cells using H-Gly-Pro-AMC as substrate measured over 15 mins by fluorescence analysis				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50267134 (CHEMBL4092258) Show SMILES [H][C@@]12CCc3nnc(n3[C@@]1([H])CCN(Cc1cc3nc(nc(N4CCOCC4)c3s1)-c1cccc3[nH]ncc13)C2)C(F)(F)F |r| Show InChI InChI=1S/C28H28F3N9OS/c29-28(30,31)27-37-36-23-5-4-16-14-38(7-6-22(16)40(23)27)15-17-12-21-24(42-17)26(39-8-10-41-11-9-39)34-25(33-21)18-2-1-3-20-19(18)13-32-35-20/h1-3,12-13,16,22H,4-11,14-15H2,(H,32,35)/t16-,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50267164 (CHEMBL4068098) Show SMILES Cc1nncn1C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc(O)c2)CC1 Show InChI InChI=1S/C25H29N7O2S/c1-17-29-26-16-32(17)19-5-7-30(8-6-19)15-21-14-22-23(35-21)25(31-9-11-34-12-10-31)28-24(27-22)18-3-2-4-20(33)13-18/h2-4,13-14,16,19,33H,5-12,15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pre...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50267121 (CHEMBL4070417) Show SMILES [H][C@@]12CCc3nnc(C)n3[C@@]1([H])CCN(Cc1cc3nc(nc(N4CCOCC4)c3s1)-c1cccc3[nH]ncc13)C2 |r| Show InChI InChI=1S/C28H31N9OS/c1-17-32-34-25-6-5-18-15-35(8-7-24(18)37(17)25)16-19-13-23-26(39-19)28(36-9-11-38-12-10-36)31-27(30-23)20-3-2-4-22-21(20)14-29-33-22/h2-4,13-14,18,24H,5-12,15-16H2,1H3,(H,29,33)/t18-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50267167 (CHEMBL4081413) Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2sc(CN3CCC(CC3)n3cnnc3C(F)(F)F)cc2n1 Show InChI InChI=1S/C25H26F3N7O2S/c26-25(27,28)24-32-29-15-35(24)17-4-6-33(7-5-17)14-19-13-20-21(38-19)23(34-8-10-37-11-9-34)31-22(30-20)16-2-1-3-18(36)12-16/h1-3,12-13,15,17,36H,4-11,14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...				J Med Chem 60: 1534-1554 (2017) Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR
					More data for this Ligand-Target Pair

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