Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50033423   

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))	BDBM50099066 (CHEMBL279115 | phorbol 13-acetate 12-myristate) Show SMILES CCCCCCCCCCCCCC(=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(C)=O |r,c:33,t:22| Show InChI InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30?,32-,34-,35-,36-/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 UniChem Patents Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Advanced Science Institute Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from human recombinant PKCalpha after 20 mins by liquid scintillation counting				Bioorg Med Chem Lett 21: 3587-90 (2011) Article DOI: 10.1016/j.bmcl.2011.04.108 BindingDB Entry DOI: 10.7270/Q2HM58TF
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50345024 ((R)-(4-(dodecyloxy)-1-(hydroxymethyl)-3-oxo-1,3-di...) Show SMILES CCCCCCCCCCCCOc1cccc2c1C(=O)O[C@]2(CO)COC(=O)C(C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C32H52O6/c1-8-9-10-11-12-13-14-15-16-17-21-36-25-20-18-19-24-26(25)28(34)38-32(24,22-33)23-37-29(35)27(30(2,3)4)31(5,6)7/h18-20,27,33H,8-17,21-23H2,1-7H3/t32-/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	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Advanced Science Institute Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from human recombinant PKCalpha after 20 mins by liquid scintillation counting				Bioorg Med Chem Lett 21: 3587-90 (2011) Article DOI: 10.1016/j.bmcl.2011.04.108 BindingDB Entry DOI: 10.7270/Q2HM58TF
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50345027 (((R)-4-(3-((2R,3R,5S,6S)-4-(dodecyloxy)-2,3,5,6-te...) Show SMILES CCCCCCCCCCCCO[C@H]1[C@@H](OC)[C@H](OC)[C@@H](OCC#Cc2cccc3c2C(=O)O[C@]3(CO)COC(=O)C(C(C)(C)C)C(C)(C)C)[C@H](OC)[C@H]1OC |r| Show InChI InChI=1S/C45H72O11/c1-12-13-14-15-16-17-18-19-20-21-27-53-38-34(49-8)36(51-10)39(37(52-11)35(38)50-9)54-28-23-25-31-24-22-26-32-33(31)41(47)56-45(32,29-46)30-55-42(48)40(43(2,3)4)44(5,6)7/h22,24,26,34-40,46H,12-21,27-30H2,1-11H3/t34-,35+,36-,37+,38-,39+,45-/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	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Advanced Science Institute Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from human recombinant PKCalpha after 20 mins by liquid scintillation counting				Bioorg Med Chem Lett 21: 3587-90 (2011) Article DOI: 10.1016/j.bmcl.2011.04.108 BindingDB Entry DOI: 10.7270/Q2HM58TF
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50345026 ((1R,2R,4S,5S)-3-(3-((R)-1-((2-tert-butyl-3,3-dimet...) Show SMILES CCCCCCCCCCCCO[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OCC#Cc2cccc3c2C(=O)O[C@]3(CO)COC(=O)C(C(C)(C)C)C(C)(C)C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C49H72O15/c1-12-13-14-15-16-17-18-19-20-21-27-57-38-40(60-31(2)51)42(62-33(4)53)39(43(63-34(5)54)41(38)61-32(3)52)58-28-23-25-35-24-22-26-36-37(35)45(55)64-49(36,29-50)30-59-46(56)44(47(6,7)8)48(9,10)11/h22,24,26,38-44,50H,12-21,27-30H2,1-11H3/t38-,39+,40+,41-,42+,43-,49-/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	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Advanced Science Institute Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from human recombinant PKCalpha after 20 mins by liquid scintillation counting				Bioorg Med Chem Lett 21: 3587-90 (2011) Article DOI: 10.1016/j.bmcl.2011.04.108 BindingDB Entry DOI: 10.7270/Q2HM58TF
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50345025 ((R)-(4-(dodecyloxy)-1-(hydroxymethyl)-3-oxo-1,3-di...) Show SMILES CCCCCCCCCCCCOc1cccc2c1C(=O)O[C@]2(CO)COC(=O)CCCCCCCCCCC |r| Show InChI InChI=1S/C34H56O6/c1-3-5-7-9-11-13-15-17-19-21-26-38-30-24-22-23-29-32(30)33(37)40-34(29,27-35)28-39-31(36)25-20-18-16-14-12-10-8-6-4-2/h22-24,35H,3-21,25-28H2,1-2H3/t34-/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	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Advanced Science Institute Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from human recombinant PKCalpha after 20 mins by liquid scintillation counting				Bioorg Med Chem Lett 21: 3587-90 (2011) Article DOI: 10.1016/j.bmcl.2011.04.108 BindingDB Entry DOI: 10.7270/Q2HM58TF
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50345028 (((R)-4-(3-((1S,2S,3R,4R,5S,6R)-4-(dodecyloxy)-2,3,...) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#8]-[#6@@H]-1-[#6@H](-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6@@H](-[#8]-[#6]\[#6]=[#6]\[#6](-[#6])-[#6])-[#6@H](-[#8]-[#6]C#Cc2cccc3c2-[#6](=O)-[#8][C@]3([#6]-[#8])[#6]-[#8]-[#6](=O)-[#6](C([#6])([#6])[#6])C([#6])([#6])[#6])-[#6@@H](-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6@@H]-1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6] |r| Show InChI InChI=1S/C62H98O11/c1-16-17-18-19-20-21-22-23-24-25-36-66-53-54(69-39-33-45(4)5)51(67-37-27-29-44(2)3)52(55(70-40-34-46(6)7)56(53)71-41-35-47(8)9)68-38-28-31-48-30-26-32-49-50(48)58(64)73-62(49,42-63)43-72-59(65)57(60(10,11)12)61(13,14)15/h26-27,29-30,32-35,44,51-57,63H,16-25,36-43H2,1-15H3/b29-27+/t51-,52-,53+,54+,55+,56+,62+/m0/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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Advanced Science Institute Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from human recombinant PKCalpha after 20 mins by liquid scintillation counting				Bioorg Med Chem Lett 21: 3587-90 (2011) Article DOI: 10.1016/j.bmcl.2011.04.108 BindingDB Entry DOI: 10.7270/Q2HM58TF
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50345029 (((R)-1-(hydroxymethyl)-3-oxo-4-(3-((2R,3S,5R,6S)-2...) Show SMILES CCCCCCCCCCCCO[C@@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCC#Cc2cccc3c2C(=O)O[C@]3(CO)COC(=O)C(C(C)(C)C)C(C)(C)C)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 |r| Show InChI InChI=1S/C69H88O11/c1-8-9-10-11-12-13-14-15-16-29-43-73-58-60(75-45-51-32-21-17-22-33-51)62(77-47-53-36-25-19-26-37-53)59(63(78-48-54-38-27-20-28-39-54)61(58)76-46-52-34-23-18-24-35-52)74-44-31-41-55-40-30-42-56-57(55)65(71)80-69(56,49-70)50-79-66(72)64(67(2,3)4)68(5,6)7/h17-28,30,32-40,42,58-64,70H,8-16,29,43-50H2,1-7H3/t58-,59+,60+,61-,62+,63-,69-/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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Advanced Science Institute Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from human recombinant PKCalpha after 20 mins by liquid scintillation counting				Bioorg Med Chem Lett 21: 3587-90 (2011) Article DOI: 10.1016/j.bmcl.2011.04.108 BindingDB Entry DOI: 10.7270/Q2HM58TF
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50345030 (((R)-4-(3-((2R,3S,5R,6S)-4-(dodecyloxy)-2,3,5,6-te...) Show SMILES CCCCCCCCCCCCO[C@@H]1[C@H](OCc2ccc(cc2)C(C)C)[C@@H](OCc2ccc(cc2)C(C)C)[C@H](OCC#Cc2cccc3c2C(=O)O[C@]3(CO)COC(=O)C(C(C)(C)C)C(C)(C)C)[C@@H](OCc2ccc(cc2)C(C)C)[C@@H]1OCc1ccc(cc1)C(C)C |r| Show InChI InChI=1S/C81H112O11/c1-16-17-18-19-20-21-22-23-24-25-47-85-70-72(87-49-59-31-39-63(40-32-59)55(2)3)74(89-51-61-35-43-65(44-36-61)57(6)7)71(75(90-52-62-37-45-66(46-38-62)58(8)9)73(70)88-50-60-33-41-64(42-34-60)56(4)5)86-48-27-29-67-28-26-30-68-69(67)77(83)92-81(68,53-82)54-91-78(84)76(79(10,11)12)80(13,14)15/h26,28,30-46,55-58,70-76,82H,16-25,47-54H2,1-15H3/t70-,71+,72+,73-,74+,75-,81-/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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Advanced Science Institute Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from human recombinant PKCalpha after 20 mins by liquid scintillation counting				Bioorg Med Chem Lett 21: 3587-90 (2011) Article DOI: 10.1016/j.bmcl.2011.04.108 BindingDB Entry DOI: 10.7270/Q2HM58TF
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50345031 (((R)-4-(3-((2R,3S,5R,6S)-4-(dodecyloxy)-2,3,5,6-te...) Show SMILES CCCCCCCCCCCCO[C@@H]1[C@H](OCc2ccc(F)cc2)[C@@H](OCc2ccc(F)cc2)[C@H](OCC#Cc2cccc3c2C(=O)O[C@]3(CO)COC(=O)C(C(C)(C)C)C(C)(C)C)[C@@H](OCc2ccc(F)cc2)[C@@H]1OCc1ccc(F)cc1 |r| Show InChI InChI=1S/C69H84F4O11/c1-8-9-10-11-12-13-14-15-16-17-39-77-58-60(79-41-47-23-31-52(70)32-24-47)62(81-43-49-27-35-54(72)36-28-49)59(63(82-44-50-29-37-55(73)38-30-50)61(58)80-42-48-25-33-53(71)34-26-48)78-40-19-21-51-20-18-22-56-57(51)65(75)84-69(56,45-74)46-83-66(76)64(67(2,3)4)68(5,6)7/h18,20,22-38,58-64,74H,8-17,39-46H2,1-7H3/t58-,59+,60+,61-,62+,63-,69-/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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Advanced Science Institute Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from human recombinant PKCalpha after 20 mins by liquid scintillation counting				Bioorg Med Chem Lett 21: 3587-90 (2011) Article DOI: 10.1016/j.bmcl.2011.04.108 BindingDB Entry DOI: 10.7270/Q2HM58TF
					More data for this Ligand-Target Pair