Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50005823   

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))	BDBM50041389 (Butyric acid (1aR,4aR,7aS,7bS,8R,9R,9aS)-9-butyryl...) Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=CC2[C@@H]2C(C)(C)[C@]12OC(=O)CCC |c:23,t:12| Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18?,19-,22-,24-,26-,27-,28-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Binding affinity (Ki) towards Protein kinase C				J Med Chem 37: 1326-38 (1994) BindingDB Entry DOI: 10.7270/Q2J67G03
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50041401 ((1S,3R,4S,9R,13S,14R)-13-Hydroxy-9-((R)-1-hydroxy-...) Show SMILES CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23CC(OC(=O)C[C@@H](OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H](C)O)[C@@H]1C)c1cccc(O)c1 Show InChI InChI=1S/C32H48O10/c1-18(11-12-24(38-7)22-9-8-10-23(34)13-22)29-20(3)26-16-32(41-29)30(5,6)15-19(2)31(37,42-32)17-28(36)39-25(21(4)33)14-27(35)40-26/h8-10,13,18-21,24-26,29,33-34,37H,11-12,14-17H2,1-7H3/t18-,19+,20-,21+,24-,25+,26?,29+,31-,32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Binding affinity (Ki) towards Protein kinase C				J Med Chem 37: 1326-38 (1994) BindingDB Entry DOI: 10.7270/Q2J67G03
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50041403 ((2R,3R,4R)-2-Hydroxymethyl-5-oxo-4-tetradecyl-tetr...) Show SMILES CCCCCCCCCCCCCC[C@@H]1[C@@H](OC(C)=O)[C@H](CO)OC1=O Show InChI InChI=1S/C21H38O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-20(25-17(2)23)19(16-22)26-21(18)24/h18-20,22H,3-16H2,1-2H3/t18-,19+,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Binding affinity (Ki) towards Protein kinase C				J Med Chem 37: 1326-38 (1994) BindingDB Entry DOI: 10.7270/Q2J67G03
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50041391 (CHEMBL13259 | Tetradecanoic acid (S)-2-acetoxy-3-h...) Show SMILES CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(C)=O Show InChI InChI=1S/C19H36O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-19(22)23-16-18(15-20)24-17(2)21/h18,20H,3-16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Binding affinity (Ki) towards Protein kinase C				J Med Chem 37: 1326-38 (1994) BindingDB Entry DOI: 10.7270/Q2J67G03
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50041390 ((R)-5-Hydroxymethyl-4-tetradecanoyl-dihydro-furan-...) Show SMILES CCCCCCCCCCCCCC(=O)C1CC(=O)O[C@H]1CO Show InChI InChI=1S/C19H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(21)16-14-19(22)23-18(16)15-20/h16,18,20H,2-15H2,1H3/t16?,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Binding affinity (Ki) towards Protein kinase C				J Med Chem 37: 1326-38 (1994) BindingDB Entry DOI: 10.7270/Q2J67G03
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50041399 (CHEMBL26734 | Undecanoic acid (2S,3R)-2-hydroxymet...) Show SMILES CCCCCCCCCCC(=O)O[C@@H]1CC(=O)O[C@H]1CO Show InChI InChI=1S/C16H28O5/c1-2-3-4-5-6-7-8-9-10-15(18)20-13-11-16(19)21-14(13)12-17/h13-14,17H,2-12H2,1H3/t13-,14+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Binding affinity (Ki) towards Protein kinase C				J Med Chem 37: 1326-38 (1994) BindingDB Entry DOI: 10.7270/Q2J67G03
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50041397 (CHEMBL13044 | Tetradecanoic acid (2R,3S)-2-hydroxy...) Show SMILES CCCCCCCCCCCCCC(=O)O[C@H]1CC(=O)O[C@@H]1CO Show InChI InChI=1S/C19H34O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(21)23-16-14-19(22)24-17(16)15-20/h16-17,20H,2-15H2,1H3/t16-,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Binding affinity (Ki) towards Protein kinase C				J Med Chem 37: 1326-38 (1994) BindingDB Entry DOI: 10.7270/Q2J67G03
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50041402 ((3S,3aR,6aS)-3-Dodecyl-6a-hydroxymethyl-tetrahydro...) Show SMILES CCCCCCCCCCCC[C@H]1[C@H]2OC(=O)C[C@@]2(CO)OC1=O Show InChI InChI=1S/C19H32O5/c1-2-3-4-5-6-7-8-9-10-11-12-15-17-19(14-20,24-18(15)22)13-16(21)23-17/h15,17,20H,2-14H2,1H3/t15-,17+,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Binding affinity (Ki) towards Protein kinase C				J Med Chem 37: 1326-38 (1994) BindingDB Entry DOI: 10.7270/Q2J67G03
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50041404 ((3S,3aR,6aR)-6a-Hydroxymethyl-3-undecyl-tetrahydro...) Show SMILES CCCCCCCCCCC[C@H]1[C@H]2C(=O)OC[C@@]2(CO)OC1=O Show InChI InChI=1S/C18H30O5/c1-2-3-4-5-6-7-8-9-10-11-14-15-17(21)22-13-18(15,12-19)23-16(14)20/h14-15,19H,2-13H2,1H3/t14-,15-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Binding affinity (Ki) towards Protein kinase C				J Med Chem 37: 1326-38 (1994) BindingDB Entry DOI: 10.7270/Q2J67G03
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50041398 (CHEMBL282101 | Nonadecanoic acid (2S,3R)-2-hydroxy...) Show SMILES CCCCCCCCCCCCCCCCCCC(=O)O[C@@H]1CC(=O)O[C@H]1CO Show InChI InChI=1S/C24H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)28-21-19-24(27)29-22(21)20-25/h21-22,25H,2-20H2,1H3/t21-,22+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Binding affinity (Ki) towards Protein kinase C				J Med Chem 37: 1326-38 (1994) BindingDB Entry DOI: 10.7270/Q2J67G03
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50041395 ((5R,6S)-9-Dodec-(E)-ylidene-6-hydroxymethyl-1,7-di...) Show SMILES CCCCCCCCCCC\C=C1\C(=O)O[C@@H](CO)[C@@]11CCC(=O)O1 Show InChI InChI=1S/C20H32O5/c1-2-3-4-5-6-7-8-9-10-11-12-16-19(23)24-17(15-21)20(16)14-13-18(22)25-20/h12,17,21H,2-11,13-15H2,1H3/b16-12-/t17-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Binding affinity (Ki) towards Protein kinase C				J Med Chem 37: 1326-38 (1994) BindingDB Entry DOI: 10.7270/Q2J67G03
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50041393 ((3R,3aS,6aS)-6a-Hydroxymethyl-3-undecyl-tetrahydro...) Show SMILES CCCCCCCCCCC[C@@H]1[C@@H]2C(=O)OC[C@]2(CO)OC1=O Show InChI InChI=1S/C18H30O5/c1-2-3-4-5-6-7-8-9-10-11-14-15-17(21)22-13-18(15,12-19)23-16(14)20/h14-15,19H,2-13H2,1H3/t14-,15-,18+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Binding affinity (Ki) towards Protein kinase C				J Med Chem 37: 1326-38 (1994) BindingDB Entry DOI: 10.7270/Q2J67G03
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50041400 ((3S,3aR,6R,6aS)-6-Hydroxymethyl-3-undecyl-tetrahyd...) Show SMILES CCCCCCCCCCC[C@H]1[C@@H]2[C@H](OC1=O)[C@@H](CO)OC2=O Show InChI InChI=1S/C18H30O5/c1-2-3-4-5-6-7-8-9-10-11-13-15-16(23-17(13)20)14(12-19)22-18(15)21/h13-16,19H,2-12H2,1H3/t13-,14+,15+,16+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.78E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Binding affinity (Ki) towards Protein kinase C				J Med Chem 37: 1326-38 (1994) BindingDB Entry DOI: 10.7270/Q2J67G03
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50041394 (CHEMBL26372 | Tetradecanoic acid (2S,3S)-2-hydroxy...) Show SMILES CCCCCCCCCCCCCC(=O)O[C@H]1CC(=O)O[C@H]1CO Show InChI InChI=1S/C19H34O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(21)23-16-14-19(22)24-17(16)15-20/h16-17,20H,2-15H2,1H3/t16-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Binding affinity (Ki) towards Protein kinase C				J Med Chem 37: 1326-38 (1994) BindingDB Entry DOI: 10.7270/Q2J67G03
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50041392 ((5R,6S)-9-Dodecyl-6-hydroxymethyl-1,7-dioxa-spiro[...) Show SMILES CCCCCCCCCCCCC1C(=O)O[C@@H](CO)[C@@]11CCC(=O)O1 Show InChI InChI=1S/C20H34O5/c1-2-3-4-5-6-7-8-9-10-11-12-16-19(23)24-17(15-21)20(16)14-13-18(22)25-20/h16-17,21H,2-15H2,1H3/t16?,17-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.53E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Binding affinity (Ki) towards Protein kinase C				J Med Chem 37: 1326-38 (1994) BindingDB Entry DOI: 10.7270/Q2J67G03
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50041396 (CHEMBL26671 | Heptanoic acid (2S,3R)-2-hydroxymeth...) Show SMILES CCCCCCC(=O)O[C@@H]1CC(=O)O[C@H]1CO Show InChI InChI=1S/C12H20O5/c1-2-3-4-5-6-11(14)16-9-7-12(15)17-10(9)8-13/h9-10,13H,2-8H2,1H3/t9-,10+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.87E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Binding affinity (Ki) towards Protein kinase C				J Med Chem 37: 1326-38 (1994) BindingDB Entry DOI: 10.7270/Q2J67G03
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50041405 (CHEMBL28285 | Tetradecanoic acid (2R,3R)-2-hydroxy...) Show SMILES CCCCCCCCCCCCCC(=O)O[C@@H]1CC(=O)O[C@@H]1CO Show InChI InChI=1S/C19H34O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(21)23-16-14-19(22)24-17(16)15-20/h16-17,20H,2-15H2,1H3/t16-,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Binding affinity (Ki) towards Protein kinase C				J Med Chem 37: 1326-38 (1994) BindingDB Entry DOI: 10.7270/Q2J67G03
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50041406 (Acetic acid (2S,3R)-2-hydroxymethyl-5-oxo-tetrahyd...) Show SMILES CC(=O)O[C@@H]1CC(=O)O[C@H]1CO Show InChI InChI=1S/C7H10O5/c1-4(9)11-5-2-7(10)12-6(5)3-8/h5-6,8H,2-3H2,1H3/t5-,6+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.70E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Binding affinity (Ki) towards Protein kinase C				J Med Chem 37: 1326-38 (1994) BindingDB Entry DOI: 10.7270/Q2J67G03
					More data for this Ligand-Target Pair