Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50032372   

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 gamma type (Homo sapiens (Human))	BDBM50327943 (Aplysiatoxin | CHEMBL1256416) Show SMILES CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@@H](OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H](C)O)[C@@H]1C)c1cc(O)ccc1Br |r| Show InChI InChI=1S/C32H47BrO10/c1-17(8-11-24(39-7)22-12-21(35)9-10-23(22)33)29-19(3)26-15-32(42-29)30(5,6)14-18(2)31(38,43-32)16-28(37)40-25(20(4)34)13-27(36)41-26/h9-10,12,17-20,24-26,29,34-35,38H,8,11,13-16H2,1-7H3/t17-,18+,19-,20+,24-,25+,26?,29+,31-,32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to PKC gamma C1A peptide				Bioorg Med Chem Lett 20: 6064-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.051 BindingDB Entry DOI: 10.7270/Q2FJ2H04
					More data for this Ligand-Target Pair
Protein kinase C gamma type (Homo sapiens (Human))	BDBM50327946 (1S,3R,5R,9R,13R)-9-Hydroxymethyl-3-[4-(3-hydroxy-p...) Show SMILES CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4cccc(O)c4)O[C@@]1(C3)O2 |r| Show InChI InChI=1S/C27H38O8/c1-26(2)11-10-21-14-24(30)33-23(17-28)15-25(31)32-22-13-20(34-27(26,16-22)35-21)9-4-3-6-18-7-5-8-19(29)12-18/h5,7-8,12,20-23,28-29H,3-4,6,9-11,13-17H2,1-2H3/t20-,21-,22?,23-,27+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to PKC gamma C1A peptide				Bioorg Med Chem Lett 20: 6064-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.051 BindingDB Entry DOI: 10.7270/Q2FJ2H04
					More data for this Ligand-Target Pair
Protein kinase C gamma type (Homo sapiens (Human))	BDBM50327944 ((1S,3R,5R,9R,13R)-9-Hydroxymethyl-16,16-dimethyl-3...) Show SMILES CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4ccccc4)O[C@@]1(C3)O2 |r| Show InChI InChI=1S/C27H38O7/c1-26(2)13-12-21-15-24(29)32-23(18-28)16-25(30)31-22-14-20(33-27(26,17-22)34-21)11-7-6-10-19-8-4-3-5-9-19/h3-5,8-9,20-23,28H,6-7,10-18H2,1-2H3/t20-,21-,22?,23-,27+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to PKC gamma C1A peptide				Bioorg Med Chem Lett 20: 6064-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.051 BindingDB Entry DOI: 10.7270/Q2FJ2H04
					More data for this Ligand-Target Pair
Protein kinase C gamma type (Homo sapiens (Human))	BDBM50327945 ((1R,3R,5R,9R,13R)-9-Hydroxymethyl-3-(4-phenyl-buty...) Show SMILES OC[C@H]1CC(=O)O[C@@H]2C[C@@H](CCCCc3ccccc3)O[C@@]3(CCC[C@H](CC(=O)O1)O3)C2 |r| Show InChI InChI=1S/C25H34O7/c26-17-22-15-24(28)29-21-13-19(10-5-4-9-18-7-2-1-3-8-18)31-25(16-21)12-6-11-20(32-25)14-23(27)30-22/h1-3,7-8,19-22,26H,4-6,9-17H2/t19-,20-,21?,22-,25-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to PKC gamma C1A peptide				Bioorg Med Chem Lett 20: 6064-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.051 BindingDB Entry DOI: 10.7270/Q2FJ2H04
					More data for this Ligand-Target Pair
Protein kinase C gamma type (Homo sapiens (Human))	BDBM50057512 ((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...) 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)=C[C@H]2[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 MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to PKC gamma C1A peptide				Bioorg Med Chem Lett 20: 6064-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.051 BindingDB Entry DOI: 10.7270/Q2FJ2H04
					More data for this Ligand-Target Pair