Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50011494   

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 alpha type (Homo sapiens (Human))	BDBM50085880 (3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethy...) Show SMILES CC(C)C(C\C=C1/CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C Show InChI InChI=1S/C24H42O5/c1-15(2)20(16(3)4)10-9-19-12-24(13-25,29-23(19)27)14-28-22(26)11-21(17(5)6)18(7)8/h9,15-18,20-21,25H,10-14H2,1-8H3/b19-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [20-3H]-PDBU ligand from recombinant protein kinase C (baculovirus)				J Med Chem 44: 4309-12 (2001) BindingDB Entry DOI: 10.7270/Q25D8R5P
					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	PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [20-3H]-PDBU ligand from recombinant protein kinase C (baculovirus)				J Med Chem 44: 4309-12 (2001) BindingDB Entry DOI: 10.7270/Q25D8R5P
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50085904 (3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethy...) Show SMILES CC(C)C(C\C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C Show InChI InChI=1S/C24H42O5/c1-15(2)20(16(3)4)10-9-19-12-24(13-25,29-23(19)27)14-28-22(26)11-21(17(5)6)18(7)8/h9,15-18,20-21,25H,10-14H2,1-8H3/b19-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [20-3H]-PDBU ligand from recombinant protein kinase C (baculovirus)				J Med Chem 44: 4309-12 (2001) BindingDB Entry DOI: 10.7270/Q25D8R5P
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50107118 (3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethy...) Show SMILES CC(C)CC(C\C=C1/CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C26H46O5/c1-17(2)11-21(12-18(3)4)9-10-22-14-26(15-27,31-25(22)29)16-30-24(28)13-23(19(5)6)20(7)8/h10,17-21,23,27H,9,11-16H2,1-8H3/b22-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [20-3H]-PDBU ligand from recombinant protein kinase C (baculovirus)				J Med Chem 44: 4309-12 (2001) BindingDB Entry DOI: 10.7270/Q25D8R5P
					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	PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [20-3H]-PDBU ligand from recombinant protein kinase C (baculovirus)				J Med Chem 44: 4309-12 (2001) BindingDB Entry DOI: 10.7270/Q25D8R5P
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50107121 (CHEMBL135779 | N-Hydroxy-N-[2-hydroxymethyl-4-(3-i...) Show SMILES CC(C)CC(C\C=C1/CC(CO)(CN(O)C(=O)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H39NO5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(14-24,28-19(18)25)13-23(27)20(26)21(5,6)7/h9,15-17,24,27H,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	PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [20-3H]-PDBU ligand from recombinant protein kinase C (baculovirus)				J Med Chem 44: 4309-12 (2001) BindingDB Entry DOI: 10.7270/Q25D8R5P
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50107115 (CHEMBL94505 | N-Hydroxy-N-[2-hydroxymethyl-4-(3-is...) Show SMILES CC(C)CC(C\C=C1\CC(CO)(CN(O)C(=O)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H39NO5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(14-24,28-19(18)25)13-23(27)20(26)21(5,6)7/h9,15-17,24,27H,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	PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [20-3H]-PDBU ligand from recombinant protein kinase C (baculovirus)				J Med Chem 44: 4309-12 (2001) BindingDB Entry DOI: 10.7270/Q25D8R5P
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50107116 (3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethy...) Show SMILES CC(C)CC(C\C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C26H46O5/c1-17(2)11-21(12-18(3)4)9-10-22-14-26(15-27,31-25(22)29)16-30-24(28)13-23(19(5)6)20(7)8/h10,17-21,23,27H,9,11-16H2,1-8H3/b22-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [20-3H]-PDBU ligand from recombinant protein kinase C (baculovirus)				J Med Chem 44: 4309-12 (2001) BindingDB Entry DOI: 10.7270/Q25D8R5P
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50107119 ((Z) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...) Show SMILES CC(C)C(C\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O)C(C)C Show InChI InChI=1S/C20H34O5/c1-13(2)16(14(3)4)9-8-15-10-20(11-21,25-17(15)22)12-24-18(23)19(5,6)7/h8,13-14,16,21H,9-12H2,1-7H3/b15-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [20-3H]-PDBU ligand from recombinant protein kinase C (baculovirus)				J Med Chem 44: 4309-12 (2001) BindingDB Entry DOI: 10.7270/Q25D8R5P
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50107111 ((E) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...) Show SMILES CC(C)C(C\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O)C(C)C Show InChI InChI=1S/C20H34O5/c1-13(2)16(14(3)4)9-8-15-10-20(11-21,25-17(15)22)12-24-18(23)19(5,6)7/h8,13-14,16,21H,9-12H2,1-7H3/b15-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [20-3H]-PDBU ligand from recombinant protein kinase C (baculovirus)				J Med Chem 44: 4309-12 (2001) BindingDB Entry DOI: 10.7270/Q25D8R5P
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50107117 (CHEMBL136786 | N-[2-Hydroxymethyl-4-(3-isobutyl-5-...) Show SMILES CC(C)CC(C\C=C1\CC(CO)(CNC(=O)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H39NO4/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(14-24,27-19(18)25)13-23-20(26)21(5,6)7/h9,15-17,24H,8,10-14H2,1-7H3,(H,23,26)/b18-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [20-3H]-PDBU ligand from recombinant protein kinase C (baculovirus)				J Med Chem 44: 4309-12 (2001) BindingDB Entry DOI: 10.7270/Q25D8R5P
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50107114 (CHEMBL439979 | N-[2-Hydroxymethyl-4-(3-isobutyl-5-...) Show SMILES CC(C)CC(C\C=C1/CC(CO)(CNC(=O)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H39NO4/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(14-24,27-19(18)25)13-23-20(26)21(5,6)7/h9,15-17,24H,8,10-14H2,1-7H3,(H,23,26)/b18-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [20-3H]-PDBU ligand from recombinant protein kinase C (baculovirus)				J Med Chem 44: 4309-12 (2001) BindingDB Entry DOI: 10.7270/Q25D8R5P
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50107122 (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)NC1=O)CC(C)C Show InChI InChI=1S/C22H39NO4/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-24,23-19(18)25)14-27-20(26)21(5,6)7/h9,15-17,24H,8,10-14H2,1-7H3,(H,23,25)/b18-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [20-3H]-PDBU ligand from recombinant protein kinase C (baculovirus)				J Med Chem 44: 4309-12 (2001) BindingDB Entry DOI: 10.7270/Q25D8R5P
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50107113 (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)NC1=O)CC(C)C Show InChI InChI=1S/C22H39NO4/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-24,23-19(18)25)14-27-20(26)21(5,6)7/h9,15-17,24H,8,10-14H2,1-7H3,(H,23,25)/b18-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [20-3H]-PDBU ligand from recombinant protein kinase C (baculovirus)				J Med Chem 44: 4309-12 (2001) BindingDB Entry DOI: 10.7270/Q25D8R5P
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50107110 (2,2-Dimethyl-propionic acid 1-hydroxy-2-hydroxymet...) Show SMILES CC(C)CC(C\C=C1/CC(CO)(COC(=O)C(C)(C)C)N(O)C1=O)CC(C)C Show InChI InChI=1S/C22H39NO5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-24,23(27)19(18)25)14-28-20(26)21(5,6)7/h9,15-17,24,27H,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	PubMed	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [20-3H]-PDBU ligand from recombinant protein kinase C (baculovirus)				J Med Chem 44: 4309-12 (2001) BindingDB Entry DOI: 10.7270/Q25D8R5P
					More data for this Ligand-Target Pair