Compile Data Set for Download or QSAR

Found 792 hits with Last Name = 'morrison' and Initial = 'l'   

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
Protein kinase C theta type (Homo sapiens (Human))	BDBM251460 (US9452998, 9) Show SMILES CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1C(F)(F)F Show InChI InChI=1S/C22H23F3N8O/c1-21(27)6-10-33(11-7-21)15-5-3-9-29-19(15)32-20(34)17-18(26)30-12-14(31-17)16-13(22(23,24)25)4-2-8-28-16/h2-5,8-9,12H,6-7,10-11,27H2,1H3,(H2,26,30)(H,29,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PKA-theta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00388 BindingDB Entry DOI: 10.7270/Q22J6GPS
					More data for this Ligand-Target Pair
Protein kinase C theta type (Homo sapiens (Human))	BDBM50573043 (CHEMBL4849510) Show SMILES CC1(C)[C@@H](O)C[C@H]1Nc1nc(NCc2cncnc2OCC(F)F)ncc1C#N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PKA-theta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00388 BindingDB Entry DOI: 10.7270/Q22J6GPS
					More data for this Ligand-Target Pair
Protein kinase C theta type (Homo sapiens (Human))	BDBM50573038 (CHEMBL4853353) Show SMILES CC1(C)[C@@H](C[C@@H]1C(N)=O)Nc1cc(NCc2cnccc2C(F)(F)F)ncc1C#N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PKA-theta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00388 BindingDB Entry DOI: 10.7270/Q22J6GPS
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM251460 (US9452998, 9) Show SMILES CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1C(F)(F)F Show InChI InChI=1S/C22H23F3N8O/c1-21(27)6-10-33(11-7-21)15-5-3-9-29-19(15)32-20(34)17-18(26)30-12-14(31-17)16-13(22(23,24)25)4-2-8-28-16/h2-5,8-9,12H,6-7,10-11,27H2,1H3,(H2,26,30)(H,29,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PKC-alpha (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00388 BindingDB Entry DOI: 10.7270/Q22J6GPS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein kinase C theta type (Homo sapiens (Human))	BDBM50573042 (CHEMBL4854104) Show SMILES CC(C)(F)c1ncncc1CNc1ncc(C#N)c(N[C@@H]2C[C@H](O)C2(C)C)n1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PKA-theta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00388 BindingDB Entry DOI: 10.7270/Q22J6GPS
					More data for this Ligand-Target Pair
Protein kinase C theta type (Homo sapiens (Human))	BDBM50572994 (CHEMBL4854326) Show SMILES CC1(C)CC(CC(C)(C)N1)Nc1cc(NCc2cnccc2C(F)(F)F)ncc1C#N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PKA-theta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00388 BindingDB Entry DOI: 10.7270/Q22J6GPS
					More data for this Ligand-Target Pair
Protein kinase C theta type (Homo sapiens (Human))	BDBM50573034 (CHEMBL4859091) Show SMILES CC1(C)[C@@H](O)C[C@H]1Nc1nc(NCc2cnccc2C(F)(F)F)ncc1C#N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PKA-theta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00388 BindingDB Entry DOI: 10.7270/Q22J6GPS
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530873 (CHEMBL4456215) Show SMILES CN(C1CCCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1)S(C)(=O)=O Show InChI InChI=1S/C22H30N8O3S2/c1-28(35(2,31)32)16-4-3-5-29(13-16)14-17-10-18-19(34-17)21(30-6-8-33-9-7-30)27-20(26-18)15-11-24-22(23)25-12-15/h10-12,16H,3-9,13-14H2,1-2H3,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530873 (CHEMBL4456215) Show SMILES CN(C1CCCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1)S(C)(=O)=O Show InChI InChI=1S/C22H30N8O3S2/c1-28(35(2,31)32)16-4-3-5-29(13-16)14-17-10-18-19(34-17)21(30-6-8-33-9-7-30)27-20(26-18)15-11-24-22(23)25-12-15/h10-12,16H,3-9,13-14H2,1-2H3,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Protein kinase C theta type (Homo sapiens (Human))	BDBM50573033 (CHEMBL4851695) Show SMILES CC1(C)C[C@@H](CC[C@@H]1O)Nc1nc(NCc2cnccc2C(F)(F)F)ncc1C#N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PKA-theta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00388 BindingDB Entry DOI: 10.7270/Q22J6GPS
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530887 (CHEMBL4538734) Show SMILES COCC(=O)N(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1 Show InChI InChI=1S/C23H30N8O3S/c1-29(19(32)14-33-2)16-3-4-30(12-16)13-17-9-18-20(35-17)22(31-5-7-34-8-6-31)28-21(27-18)15-10-25-23(24)26-11-15/h9-11,16H,3-8,12-14H2,1-2H3,(H2,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530877 (CHEMBL4580111) Show SMILES CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)C1)C(C)=O Show InChI InChI=1S/C26H30N6O2S/c1-17(33)30(2)18-7-9-31(15-18)16-19-14-23-24(35-19)26(32-10-12-34-13-11-32)29-25(28-23)21-4-3-5-22-20(21)6-8-27-22/h3-6,8,14,18,27H,7,9-13,15-16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530895 (CHEMBL4590897) Show SMILES CN(C1CCCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)C1)S(C)(=O)=O Show InChI InChI=1S/C26H32N6O3S2/c1-30(37(2,33)34)18-5-4-10-31(16-18)17-19-15-23-24(36-19)26(32-11-13-35-14-12-32)29-25(28-23)21-6-3-7-22-20(21)8-9-27-22/h3,6-9,15,18,27H,4-5,10-14,16-17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530877 (CHEMBL4580111) Show SMILES CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)C1)C(C)=O Show InChI InChI=1S/C26H30N6O2S/c1-17(33)30(2)18-7-9-31(15-18)16-19-14-23-24(35-19)26(32-10-12-34-13-11-32)29-25(28-23)21-4-3-5-22-20(21)6-8-27-22/h3-6,8,14,18,27H,7,9-13,15-16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530894 (CHEMBL4437468) Show SMILES CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)CC1)C(C)=O Show InChI InChI=1S/C23H30N8O2S/c1-15(32)29(2)17-3-5-30(6-4-17)14-18-11-19-20(34-18)22(31-7-9-33-10-8-31)28-21(27-19)16-12-25-23(24)26-13-16/h11-13,17H,3-10,14H2,1-2H3,(H2,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530928 (CHEMBL4534127) Show SMILES CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1)S(C)(=O)=O Show InChI InChI=1S/C21H28N8O3S2/c1-27(34(2,30)31)15-3-4-28(12-15)13-16-9-17-18(33-16)20(29-5-7-32-8-6-29)26-19(25-17)14-10-23-21(22)24-11-14/h9-11,15H,3-8,12-13H2,1-2H3,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530894 (CHEMBL4437468) Show SMILES CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)CC1)C(C)=O Show InChI InChI=1S/C23H30N8O2S/c1-15(32)29(2)17-3-5-30(6-4-17)14-18-11-19-20(34-18)22(31-7-9-33-10-8-31)28-21(27-19)16-12-25-23(24)26-13-16/h11-13,17H,3-10,14H2,1-2H3,(H2,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530928 (CHEMBL4534127) Show SMILES CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1)S(C)(=O)=O Show InChI InChI=1S/C21H28N8O3S2/c1-27(34(2,30)31)15-3-4-28(12-15)13-16-9-17-18(33-16)20(29-5-7-32-8-6-29)26-19(25-17)14-10-23-21(22)24-11-14/h9-11,15H,3-8,12-13H2,1-2H3,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530895 (CHEMBL4590897) Show SMILES CN(C1CCCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)C1)S(C)(=O)=O Show InChI InChI=1S/C26H32N6O3S2/c1-30(37(2,33)34)18-5-4-10-31(16-18)17-19-15-23-24(36-19)26(32-11-13-35-14-12-32)29-25(28-23)21-6-3-7-22-20(21)8-9-27-22/h3,6-9,15,18,27H,4-5,10-14,16-17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530887 (CHEMBL4538734) Show SMILES COCC(=O)N(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1 Show InChI InChI=1S/C23H30N8O3S/c1-29(19(32)14-33-2)16-3-4-30(12-16)13-17-9-18-20(35-17)22(31-5-7-34-8-6-31)28-21(27-18)15-10-25-23(24)26-11-15/h9-11,16H,3-8,12-14H2,1-2H3,(H2,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Protein kinase C theta type (Homo sapiens (Human))	BDBM50573029 (CHEMBL4861883) Show SMILES CC1(C)C[C@@H](CC[C@@H]1O)Nc1cc(NCc2cnccc2C(F)(F)F)ncc1C#N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PKA-theta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00388 BindingDB Entry DOI: 10.7270/Q22J6GPS
					More data for this Ligand-Target Pair
Protein kinase C theta type (Homo sapiens (Human))	BDBM50573015 (CHEMBL4870774) Show SMILES NC(=O)[C@@H]1CC[C@@H](CC1)Nc1cc(NCc2cnccc2C(F)(F)F)ncc1C#N |r,wU:6.9,3.2,(38.42,-10.66,;37.11,-9.86,;37.14,-8.32,;35.76,-10.6,;34.44,-9.8,;33.08,-10.54,;33.06,-12.08,;34.37,-12.87,;35.72,-12.14,;31.71,-12.82,;31.68,-14.36,;30.33,-15.1,;30.31,-16.64,;28.96,-17.39,;28.93,-18.93,;27.58,-19.67,;27.56,-21.21,;26.21,-21.96,;24.89,-21.17,;24.92,-19.63,;26.27,-18.88,;26.29,-17.34,;24.75,-17.34,;25.52,-16,;27.64,-16.6,;31.62,-17.44,;32.97,-16.69,;33,-15.15,;34.35,-14.41,;35.69,-13.66,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PKA-theta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00388 BindingDB Entry DOI: 10.7270/Q22J6GPS
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530905 (CHEMBL4453879) Show SMILES CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)CC1)S(C)(=O)=O Show InChI InChI=1S/C22H30N8O3S2/c1-28(35(2,31)32)16-3-5-29(6-4-16)14-17-11-18-19(34-17)21(30-7-9-33-10-8-30)27-20(26-18)15-12-24-22(23)25-13-15/h11-13,16H,3-10,14H2,1-2H3,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530905 (CHEMBL4453879) Show SMILES CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)CC1)S(C)(=O)=O Show InChI InChI=1S/C22H30N8O3S2/c1-28(35(2,31)32)16-3-5-29(6-4-16)14-17-11-18-19(34-17)21(30-7-9-33-10-8-30)27-20(26-18)15-12-24-22(23)25-13-15/h11-13,16H,3-10,14H2,1-2H3,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50530887 (CHEMBL4538734) Show SMILES COCC(=O)N(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1 Show InChI InChI=1S/C23H30N8O3S/c1-29(19(32)14-33-2)16-3-4-30(12-16)13-17-9-18-20(35-17)22(31-5-7-34-8-6-31)28-21(27-18)15-10-25-23(24)26-11-15/h9-11,16H,3-8,12-14H2,1-2H3,(H2,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50530887 (CHEMBL4538734) Show SMILES COCC(=O)N(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1 Show InChI InChI=1S/C23H30N8O3S/c1-29(19(32)14-33-2)16-3-4-30(12-16)13-17-9-18-20(35-17)22(31-5-7-34-8-6-31)28-21(27-18)15-10-25-23(24)26-11-15/h9-11,16H,3-8,12-14H2,1-2H3,(H2,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50530928 (CHEMBL4534127) Show SMILES CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1)S(C)(=O)=O Show InChI InChI=1S/C21H28N8O3S2/c1-27(34(2,30)31)15-3-4-28(12-15)13-16-9-17-18(33-16)20(29-5-7-32-8-6-29)26-19(25-17)14-10-23-21(22)24-11-14/h9-11,15H,3-8,12-13H2,1-2H3,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50530928 (CHEMBL4534127) Show SMILES CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1)S(C)(=O)=O Show InChI InChI=1S/C21H28N8O3S2/c1-27(34(2,30)31)15-3-4-28(12-15)13-16-9-17-18(33-16)20(29-5-7-32-8-6-29)26-19(25-17)14-10-23-21(22)24-11-14/h9-11,15H,3-8,12-13H2,1-2H3,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530872 (CHEMBL4462986) Show SMILES CN([C@@H]1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1)C(C)=O |r| Show InChI InChI=1S/C22H28N8O2S/c1-14(31)28(2)16-3-4-29(12-16)13-17-9-18-19(33-17)21(30-5-7-32-8-6-30)27-20(26-18)15-10-24-22(23)25-11-15/h9-11,16H,3-8,12-13H2,1-2H3,(H2,23,24,25)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530872 (CHEMBL4462986) Show SMILES CN([C@@H]1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1)C(C)=O |r| Show InChI InChI=1S/C22H28N8O2S/c1-14(31)28(2)16-3-4-29(12-16)13-17-9-18-19(33-17)21(30-5-7-32-8-6-30)27-20(26-18)15-10-24-22(23)25-11-15/h9-11,16H,3-8,12-13H2,1-2H3,(H2,23,24,25)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Protein kinase C theta type (Homo sapiens (Human))	BDBM50573044 (CHEMBL4873647) Show SMILES CC(F)(F)COc1ncncc1CNc1ncc(C#N)c(N[C@@H]2CC[C@H](O)C(C)(C)C2)n1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PKA-theta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00388 BindingDB Entry DOI: 10.7270/Q22J6GPS
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50530878 (CHEMBL4467891) Show SMILES CS(=O)(=O)NC1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1 Show InChI InChI=1S/C20H26N8O3S2/c1-33(29,30)26-14-2-3-27(11-14)12-15-8-16-17(32-15)19(28-4-6-31-7-5-28)25-18(24-16)13-9-22-20(21)23-10-13/h8-10,14,26H,2-7,11-12H2,1H3,(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530896 (CHEMBL4589808) Show SMILES COCC(=O)N(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)C1 Show InChI InChI=1S/C27H32N6O3S/c1-31(24(34)17-35-2)18-7-9-32(15-18)16-19-14-23-25(37-19)27(33-10-12-36-13-11-33)30-26(29-23)21-4-3-5-22-20(21)6-8-28-22/h3-6,8,14,18,28H,7,9-13,15-17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50530878 (CHEMBL4467891) Show SMILES CS(=O)(=O)NC1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1 Show InChI InChI=1S/C20H26N8O3S2/c1-33(29,30)26-14-2-3-27(11-14)12-15-8-16-17(32-15)19(28-4-6-31-7-5-28)25-18(24-16)13-9-22-20(21)23-10-13/h8-10,14,26H,2-7,11-12H2,1H3,(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530893 (CHEMBL4532070) Show SMILES CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)C1)S(C)(=O)=O Show InChI InChI=1S/C25H30N6O3S2/c1-29(36(2,32)33)17-7-9-30(15-17)16-18-14-22-23(35-18)25(31-10-12-34-13-11-31)28-24(27-22)20-4-3-5-21-19(20)6-8-26-21/h3-6,8,14,17,26H,7,9-13,15-16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530896 (CHEMBL4589808) Show SMILES COCC(=O)N(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)C1 Show InChI InChI=1S/C27H32N6O3S/c1-31(24(34)17-35-2)18-7-9-32(15-18)16-19-14-23-25(37-19)27(33-10-12-36-13-11-33)30-26(29-23)21-4-3-5-22-20(21)6-8-28-22/h3-6,8,14,18,28H,7,9-13,15-17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530893 (CHEMBL4532070) Show SMILES CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)C1)S(C)(=O)=O Show InChI InChI=1S/C25H30N6O3S2/c1-29(36(2,32)33)17-7-9-30(15-17)16-18-14-22-23(35-18)25(31-10-12-34-13-11-31)28-24(27-22)20-4-3-5-21-19(20)6-8-26-21/h3-6,8,14,17,26H,7,9-13,15-16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50403068 (CHEMBL2216870 | IDELALISIB | US9745321, CAL-101) Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50403068 (CHEMBL2216870 | IDELALISIB | US9745321, CAL-101) Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein kinase C theta type (Homo sapiens (Human))	BDBM50573027 (CHEMBL4867906) Show SMILES CC1(C)C[C@@H](CC(C)(C)[C@@H]1O)Nc1cc(NCc2cnccc2C(F)(F)F)ncc1C#N |r,wD:9.10,4.11,(16.5,-7.5,;15.98,-6.06,;17.5,-5.78,;14.65,-6.83,;13.31,-6.06,;13.31,-4.52,;14.65,-3.75,;15.63,-2.56,;13.65,-2.57,;15.98,-4.52,;17.31,-3.74,;11.98,-6.83,;11.98,-8.37,;10.65,-9.14,;10.65,-10.68,;9.32,-11.45,;9.32,-12.99,;7.98,-13.75,;7.98,-15.29,;6.64,-16.06,;5.32,-15.29,;5.32,-13.75,;6.64,-12.98,;6.64,-11.44,;5.15,-11.04,;6.25,-9.95,;7.98,-10.67,;11.98,-11.45,;13.32,-10.68,;13.32,-9.14,;14.65,-8.37,;15.98,-7.6,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PKA-theta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00388 BindingDB Entry DOI: 10.7270/Q22J6GPS
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530878 (CHEMBL4467891) Show SMILES CS(=O)(=O)NC1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1 Show InChI InChI=1S/C20H26N8O3S2/c1-33(29,30)26-14-2-3-27(11-14)12-15-8-16-17(32-15)19(28-4-6-31-7-5-28)25-18(24-16)13-9-22-20(21)23-10-13/h8-10,14,26H,2-7,11-12H2,1H3,(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530897 (CHEMBL4454271) Show SMILES CN([C@H]1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1)C(C)=O |r| Show InChI InChI=1S/C22H28N8O2S/c1-14(31)28(2)16-3-4-29(12-16)13-17-9-18-19(33-17)21(30-5-7-32-8-6-30)27-20(26-18)15-10-24-22(23)25-11-15/h9-11,16H,3-8,12-13H2,1-2H3,(H2,23,24,25)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma 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	MMDB PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530902 (CHEMBL4583106) Show SMILES CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)CC1)C(C)=O Show InChI InChI=1S/C27H32N6O2S/c1-18(34)31(2)19-7-10-32(11-8-19)17-20-16-24-25(36-20)27(33-12-14-35-15-13-33)30-26(29-24)22-4-3-5-23-21(22)6-9-28-23/h3-6,9,16,19,28H,7-8,10-15,17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530904 (CHEMBL4456577) Show SMILES COCC(=O)N(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)CC1 Show InChI InChI=1S/C28H34N6O3S/c1-32(25(35)18-36-2)19-7-10-33(11-8-19)17-20-16-24-26(38-20)28(34-12-14-37-15-13-34)31-27(30-24)22-4-3-5-23-21(22)6-9-29-23/h3-6,9,16,19,29H,7-8,10-15,17-18H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50530928 (CHEMBL4534127) Show SMILES CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1)S(C)(=O)=O Show InChI InChI=1S/C21H28N8O3S2/c1-27(34(2,30)31)15-3-4-28(12-15)13-16-9-17-18(33-16)20(29-5-7-32-8-6-29)26-19(25-17)14-10-23-21(22)24-11-14/h9-11,15H,3-8,12-13H2,1-2H3,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530878 (CHEMBL4467891) Show SMILES CS(=O)(=O)NC1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1 Show InChI InChI=1S/C20H26N8O3S2/c1-33(29,30)26-14-2-3-27(11-14)12-15-8-16-17(32-15)19(28-4-6-31-7-5-28)25-18(24-16)13-9-22-20(21)23-10-13/h8-10,14,26H,2-7,11-12H2,1H3,(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530897 (CHEMBL4454271) Show SMILES CN([C@H]1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1)C(C)=O |r| Show InChI InChI=1S/C22H28N8O2S/c1-14(31)28(2)16-3-4-29(12-16)13-17-9-18-19(33-17)21(30-5-7-32-8-6-30)27-20(26-18)15-10-24-22(23)25-11-15/h9-11,16H,3-8,12-13H2,1-2H3,(H2,23,24,25)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530902 (CHEMBL4583106) Show SMILES CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)CC1)C(C)=O Show InChI InChI=1S/C27H32N6O2S/c1-18(34)31(2)19-7-10-32(11-8-19)17-20-16-24-25(36-20)27(33-12-14-35-15-13-33)30-26(29-24)22-4-3-5-23-21(22)6-9-28-23/h3-6,9,16,19,28H,7-8,10-15,17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50530871 (CHEMBL4472331) Show SMILES CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1)C(C)=O Show InChI InChI=1S/C22H28N8O2S/c1-14(31)28(2)16-3-4-29(12-16)13-17-9-18-19(33-17)21(30-5-7-32-8-6-30)27-20(26-18)15-10-24-22(23)25-11-15/h9-11,16H,3-8,12-13H2,1-2H3,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...				J Med Chem 62: 10402-10422 (2019) Article DOI: 10.1021/acs.jmedchem.9b01499 BindingDB Entry DOI: 10.7270/Q27H1P12
					More data for this Ligand-Target Pair

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