Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50016712   

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 delta type (Homo sapiens (Human))	BDBM50107120 ((E) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...) Show SMILES CC(C)CC(C\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to C1b domain of protein kinase C delta with phosphatidylserine				J Med Chem 48: 5738-48 (2005) Article DOI: 10.1021/jm050352m BindingDB Entry DOI: 10.7270/Q27M07G5
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50107112 ((Z) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...) Show SMILES CC(C)CC(C\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of [3H]-PDBu binding to C1b domain of protein kinase C delta				J Med Chem 48: 5738-48 (2005) Article DOI: 10.1021/jm050352m BindingDB Entry DOI: 10.7270/Q27M07G5
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50107112 ((Z) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...) Show SMILES CC(C)CC(C\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant protein kinase C alpha was determined at pH 7.4, 37 degree C for 5 min				J Med Chem 48: 5738-48 (2005) Article DOI: 10.1021/jm050352m BindingDB Entry DOI: 10.7270/Q27M07G5
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50172488 (2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-[3-i...) Show SMILES CC(C)CC(C\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=S)CC(C)C Show InChI InChI=1S/C22H38O4S/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,26-19(18)27)14-25-20(24)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to C1b domain of protein kinase C delta with phosphatidylserine				J Med Chem 48: 5738-48 (2005) Article DOI: 10.1021/jm050352m BindingDB Entry DOI: 10.7270/Q27M07G5
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50107120 ((E) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...) Show SMILES CC(C)CC(C\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant protein kinase C alpha was determined at pH 7.4, 37 degree C for 5 min				J Med Chem 48: 5738-48 (2005) Article DOI: 10.1021/jm050352m BindingDB Entry DOI: 10.7270/Q27M07G5
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50172487 (2,2-Dimethyl-thiopropionic acid O-{2-hydroxymethyl...) Show SMILES CC(C)CC(C\C=C1/CC(CO)(COC(=S)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H38O4S/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,26-19(18)24)14-25-20(27)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to C1b domain of protein kinase C delta with phosphatidylserine				J Med Chem 48: 5738-48 (2005) Article DOI: 10.1021/jm050352m BindingDB Entry DOI: 10.7270/Q27M07G5
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50172488 (2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-[3-i...) Show SMILES CC(C)CC(C\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=S)CC(C)C Show InChI InChI=1S/C22H38O4S/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,26-19(18)27)14-25-20(24)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant protein kinase C alpha was determined at pH 7.4, 37 degree C for 5 min				J Med Chem 48: 5738-48 (2005) Article DOI: 10.1021/jm050352m BindingDB Entry DOI: 10.7270/Q27M07G5
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50107120 ((E) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...) Show SMILES CC(C)CC(C\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	103	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of [3H]-PDBu binding to C1b domain of protein kinase C delta without phosphatidylserine				J Med Chem 48: 5738-48 (2005) Article DOI: 10.1021/jm050352m BindingDB Entry DOI: 10.7270/Q27M07G5
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50172487 (2,2-Dimethyl-thiopropionic acid O-{2-hydroxymethyl...) Show SMILES CC(C)CC(C\C=C1/CC(CO)(COC(=S)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H38O4S/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,26-19(18)24)14-25-20(27)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	113	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant protein kinase C alpha was determined at pH 7.4, 37 degree C for 5 min				J Med Chem 48: 5738-48 (2005) Article DOI: 10.1021/jm050352m BindingDB Entry DOI: 10.7270/Q27M07G5
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50172488 (2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-[3-i...) Show SMILES CC(C)CC(C\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=S)CC(C)C Show InChI InChI=1S/C22H38O4S/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,26-19(18)27)14-25-20(24)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	173	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of [3H]-PDBu binding to C1b domain of protein kinase C delta without phosphatidylserine				J Med Chem 48: 5738-48 (2005) Article DOI: 10.1021/jm050352m BindingDB Entry DOI: 10.7270/Q27M07G5
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50172489 (2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-[3-i...) Show SMILES CC(C)CC(C\C=C1\COC(CO)(COC(=O)C(C)(C)C)C1)CC(C)C Show InChI InChI=1S/C22H40O4/c1-16(2)10-18(11-17(3)4)8-9-19-12-22(14-23,26-13-19)15-25-20(24)21(5,6)7/h9,16-18,23H,8,10-15H2,1-7H3/b19-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	219	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to C1b domain of protein kinase C delta with phosphatidylserine				J Med Chem 48: 5738-48 (2005) Article DOI: 10.1021/jm050352m BindingDB Entry DOI: 10.7270/Q27M07G5
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50172487 (2,2-Dimethyl-thiopropionic acid O-{2-hydroxymethyl...) Show SMILES CC(C)CC(C\C=C1/CC(CO)(COC(=S)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H38O4S/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,26-19(18)24)14-25-20(27)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	606	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of [3H]-PDBu binding to C1b domain of protein kinase C delta without phosphatidylserine				J Med Chem 48: 5738-48 (2005) Article DOI: 10.1021/jm050352m BindingDB Entry DOI: 10.7270/Q27M07G5
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50172489 (2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-[3-i...) Show SMILES CC(C)CC(C\C=C1\COC(CO)(COC(=O)C(C)(C)C)C1)CC(C)C Show InChI InChI=1S/C22H40O4/c1-16(2)10-18(11-17(3)4)8-9-19-12-22(14-23,26-13-19)15-25-20(24)21(5,6)7/h9,16-18,23H,8,10-15H2,1-7H3/b19-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	622	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant protein kinase C alpha was determined at pH 7.4, 37 degree C for 5 min				J Med Chem 48: 5738-48 (2005) Article DOI: 10.1021/jm050352m BindingDB Entry DOI: 10.7270/Q27M07G5
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50172486 (5-(2,2-Dimethyl-propoxymethyl)-5-hydroxymethyl-3-[...) Show SMILES CC(C)CC(C\C=C1/CC(CO)(COCC(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H40O4/c1-16(2)10-18(11-17(3)4)8-9-19-12-22(13-23,26-20(19)24)15-25-14-21(5,6)7/h9,16-18,23H,8,10-15H2,1-7H3/b19-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.89E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to C1b domain of protein kinase C delta with phosphatidylserine				J Med Chem 48: 5738-48 (2005) Article DOI: 10.1021/jm050352m BindingDB Entry DOI: 10.7270/Q27M07G5
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50172490 (5-(2,2-Dimethyl-propoxymethyl)-5-hydroxymethyl-3-[...) Show SMILES CC(C)CC(C\C=C1\CC(CO)(COCC(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H40O4/c1-16(2)10-18(11-17(3)4)8-9-19-12-22(13-23,26-20(19)24)15-25-14-21(5,6)7/h9,16-18,23H,8,10-15H2,1-7H3/b19-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to C1b domain of protein kinase C delta with phosphatidylserine				J Med Chem 48: 5738-48 (2005) Article DOI: 10.1021/jm050352m BindingDB Entry DOI: 10.7270/Q27M07G5
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50172490 (5-(2,2-Dimethyl-propoxymethyl)-5-hydroxymethyl-3-[...) Show SMILES CC(C)CC(C\C=C1\CC(CO)(COCC(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H40O4/c1-16(2)10-18(11-17(3)4)8-9-19-12-22(13-23,26-20(19)24)15-25-14-21(5,6)7/h9,16-18,23H,8,10-15H2,1-7H3/b19-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant protein kinase C alpha was determined at pH 7.4, 37 degree C for 5 min				J Med Chem 48: 5738-48 (2005) Article DOI: 10.1021/jm050352m BindingDB Entry DOI: 10.7270/Q27M07G5
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50172489 (2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-[3-i...) Show SMILES CC(C)CC(C\C=C1\COC(CO)(COC(=O)C(C)(C)C)C1)CC(C)C Show InChI InChI=1S/C22H40O4/c1-16(2)10-18(11-17(3)4)8-9-19-12-22(14-23,26-13-19)15-25-20(24)21(5,6)7/h9,16-18,23H,8,10-15H2,1-7H3/b19-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of [3H]-PDBu binding to C1b domain of protein kinase C delta without phosphatidylserine				J Med Chem 48: 5738-48 (2005) Article DOI: 10.1021/jm050352m BindingDB Entry DOI: 10.7270/Q27M07G5
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50172486 (5-(2,2-Dimethyl-propoxymethyl)-5-hydroxymethyl-3-[...) Show SMILES CC(C)CC(C\C=C1/CC(CO)(COCC(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H40O4/c1-16(2)10-18(11-17(3)4)8-9-19-12-22(13-23,26-20(19)24)15-25-14-21(5,6)7/h9,16-18,23H,8,10-15H2,1-7H3/b19-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant protein kinase C alpha was determined at pH 7.4, 37 degree C for 5 min				J Med Chem 48: 5738-48 (2005) Article DOI: 10.1021/jm050352m BindingDB Entry DOI: 10.7270/Q27M07G5
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50172486 (5-(2,2-Dimethyl-propoxymethyl)-5-hydroxymethyl-3-[...) Show SMILES CC(C)CC(C\C=C1/CC(CO)(COCC(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H40O4/c1-16(2)10-18(11-17(3)4)8-9-19-12-22(13-23,26-20(19)24)15-25-14-21(5,6)7/h9,16-18,23H,8,10-15H2,1-7H3/b19-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.01E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of [3H]-PDBu binding to C1b domain of protein kinase C delta without phosphatidylserine				J Med Chem 48: 5738-48 (2005) Article DOI: 10.1021/jm050352m BindingDB Entry DOI: 10.7270/Q27M07G5
					More data for this Ligand-Target Pair