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Compile Data Set for Download or QSAR

Found 13 hits of ec50 for UniProtKB: P05771   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Isoform Beta-II of Protein kinase C beta type (PRKCB2)


(Homo sapiens (Human))
BDBM239069
PNG
(US9409931, 8)
Show SMILES CC1=C[C@@]23CC[C@@H]4[C@H]([C@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1OC(=O)C1(C)CCCCC1)C3=O)C4(C)C |r,t:1,9|
Show InChI InChI=1S/C27H38O6/c1-15-13-26-11-8-18-19(24(18,2)3)17(21(26)30)12-16(14-28)20(29)27(26,32)22(15)33-23(31)25(4)9-6-5-7-10-25/h12-13,17-20,22,28-29,32H,5-11,14H2,1-4H3/t17-,18+,19?,20+,22-,26+,27-/m0/s1
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US Patent
n/an/an/an/a 0.100n/an/a7.425



LEO LABORATORIES LIMITED

US Patent


Assay Description
On the day at experiment Human Protein Kinase C betaII (PKCbII, Millipore cat#14-496) was incubated with 20 mM HEPES pH 7.4, 0.03% Triton X-100, 0.1 ...


US Patent US9409931 (2016)


BindingDB Entry DOI: 10.7270/Q2NP23BW
More data for this
Ligand-Target Pair
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139


(Homo sapiens (Human))
BDBM50519087
PNG
(CHEMBL3741746)
Show SMILES [H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:38:35:54.55,THB:55:34:38:54.53.42,32:34:38:54.53.42,53:54:40.38.41:35,42:40:35:54.55,56:54:40.38.41:35|
Show InChI InChI=1S/C44H54O12/c1-24(2)40-21-29(22-51-37(47)27-16-10-7-11-17-27)43-32-35(40)54-44(55-40,56-43)30(46)20-14-6-5-9-15-25(3)31-26(4)34(52-38(48)28-18-12-8-13-19-28)42(50,33(31)43)39(49)41(23-45)36(32)53-41/h7-8,10-13,16-19,25-26,29-36,39,45-46,49-50H,1,5-6,9,14-15,20-23H2,2-4H3/t25-,26+,29+,30-,31+,32-,33-,34+,35-,36+,39-,40-,41+,42-,43-,44?/m1/s1
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n/an/an/an/a 0.190n/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Agonist activity at Protein kinase C in human U1 cells infected with HIV-1 NL4-3 assessed as induction of HIV-1 p24 production after 72 hrs by ELISA


J Med Chem 62: 6958-6971 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00339
BindingDB Entry DOI: 10.7270/Q2959MZJ
More data for this
Ligand-Target Pair
Isoform Beta-II of Protein kinase C beta type (PRKCB2)


(Homo sapiens (Human))
BDBM239071
PNG
(US9409931, 7)
Show SMILES C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)[C@@H](O)[C@@H]4[C@@H](OC(=O)C5(C)CCCCC5)C(C)=CC14C3=O)C2(C)C |r,c:26,t:6|
Show InChI InChI=1S/C28H40O5/c1-15-13-28-16(2)11-19-20(26(19,3)4)18(24(28)31)12-17(14-29)22(30)21(28)23(15)33-25(32)27(5)9-7-6-8-10-27/h12-13,16,18-23,29-30H,6-11,14H2,1-5H3/t16-,18+,19-,20?,21-,22-,23+,28?/m1/s1
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US Patent
n/an/an/an/a 0.200n/an/a7.425



LEO LABORATORIES LIMITED

US Patent


Assay Description
On the day at experiment Human Protein Kinase C betaII (PKCbII, Millipore cat#14-496) was incubated with 20 mM HEPES pH 7.4, 0.03% Triton X-100, 0.1 ...


US Patent US9409931 (2016)


BindingDB Entry DOI: 10.7270/Q2NP23BW
More data for this
Ligand-Target Pair
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139


(Homo sapiens (Human))
BDBM50519063
PNG
(CHEMBL4587471)
Show SMILES [H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccncc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:38:54.55:35,THB:59:40:54.55:35,42:40:54.55:35,53:54:40.38.41:35,32:34:42.54.53:38|
Show InChI InChI=1S/C43H53NO12/c1-23(2)39-20-28(21-51-36(47)26-13-9-7-10-14-26)42-31-34(39)54-43(55-39,56-42)29(46)15-11-6-5-8-12-24(3)30-25(4)33(52-37(48)27-16-18-44-19-17-27)41(50,32(30)42)38(49)40(22-45)35(31)53-40/h7,9-10,13-14,16-19,24-25,28-35,38,45-46,49-50H,1,5-6,8,11-12,15,20-22H2,2-4H3/t24-,25+,28+,29-,30+,31-,32-,33+,34-,35+,38-,39-,40+,41-,42-,43?/m1/s1
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n/an/an/an/a 0.550n/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Agonist activity at Protein kinase C in human U1 cells infected with HIV-1 NL4-3 assessed as induction of HIV-1 p24 production after 72 hrs by ELISA


J Med Chem 62: 6958-6971 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00339
BindingDB Entry DOI: 10.7270/Q2959MZJ
More data for this
Ligand-Target Pair
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139


(Homo sapiens (Human))
BDBM50519068
PNG
(CHEMBL4575056)
Show SMILES [H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCCC(=O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:38:54.55:35,THB:59:40:54.55:35,42:40:54.55:35,53:54:40.38.41:35,32:34:42.54.53:38|
Show InChI InChI=1S/C44H52O12/c1-24(2)40-21-29(22-51-37(47)27-16-10-7-11-17-27)43-32-35(40)54-44(55-40,56-43)30(46)20-14-6-5-9-15-25(3)31-26(4)34(52-38(48)28-18-12-8-13-19-28)42(50,33(31)43)39(49)41(23-45)36(32)53-41/h7-8,10-13,16-19,25-26,29,31-36,39,45,49-50H,1,5-6,9,14-15,20-23H2,2-4H3/t25-,26+,29+,31+,32-,33-,34+,35-,36+,39-,40-,41+,42-,43-,44?/m1/s1
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n/an/an/an/a 0.600n/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Agonist activity at Protein kinase C in human U1 cells infected with HIV-1 NL4-3 assessed as induction of HIV-1 p24 production after 72 hrs by ELISA


J Med Chem 62: 6958-6971 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00339
BindingDB Entry DOI: 10.7270/Q2959MZJ
More data for this
Ligand-Target Pair
Isoform Beta-II of Protein kinase C beta type (PRKCB2)


(Homo sapiens (Human))
BDBM239070
PNG
(US9409931, 6)
Show SMILES C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)C[C@]4(O)[C@@H](OC(=O)C5(C)CCCCC5)C(C)=C[C@@]14C3=O)C2(C)C |r,c:26,t:6|
Show InChI InChI=1S/C28H40O5/c1-16-13-27-17(2)11-20-21(25(20,3)4)19(22(27)30)12-18(15-29)14-28(27,32)23(16)33-24(31)26(5)9-7-6-8-10-26/h12-13,17,19-21,23,29,32H,6-11,14-15H2,1-5H3/t17-,19+,20-,21?,23+,27+,28+/m1/s1
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US Patent
n/an/an/an/a 0.800n/an/a7.425



LEO LABORATORIES LIMITED

US Patent


Assay Description
On the day at experiment Human Protein Kinase C betaII (PKCbII, Millipore cat#14-496) was incubated with 20 mM HEPES pH 7.4, 0.03% Triton X-100, 0.1 ...


US Patent US9409931 (2016)


BindingDB Entry DOI: 10.7270/Q2NP23BW
More data for this
Ligand-Target Pair
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139


(Homo sapiens (Human))
BDBM50519085
PNG
(CHEMBL4444766)
Show SMILES [H][C@@]12O[C@]1(CO)C(=O)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:38:54.55:35,THB:59:40:54.55:35,42:40:54.55:35,53:54:40.38.41:35,32:34:42.54.53:38|
Show InChI InChI=1S/C44H52O12/c1-24(2)40-21-29(22-51-37(47)27-16-10-7-11-17-27)43-32-35(40)54-44(55-40,56-43)30(46)20-14-6-5-9-15-25(3)31-26(4)34(52-38(48)28-18-12-8-13-19-28)42(50,33(31)43)39(49)41(23-45)36(32)53-41/h7-8,10-13,16-19,25-26,29-36,45-46,50H,1,5-6,9,14-15,20-23H2,2-4H3/t25-,26+,29+,30-,31+,32-,33-,34+,35-,36+,40-,41+,42-,43-,44?/m1/s1
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n/an/an/an/a>3.90n/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Agonist activity at Protein kinase C in human U1 cells infected with HIV-1 NL4-3 assessed as induction of HIV-1 p24 production after 72 hrs by ELISA


J Med Chem 62: 6958-6971 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00339
BindingDB Entry DOI: 10.7270/Q2959MZJ
More data for this
Ligand-Target Pair
Isoform Beta-II of Protein kinase C beta type (PRKCB2)


(Homo sapiens (Human))
BDBM239072
PNG
(US9409931, 5)
Show SMILES C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)C[C@@H]4[C@@H](OC(=O)C5(C)CCCCC5)C(C)=C[C@@]14C3=O)C2(C)C |r,c:25,t:6|
Show InChI InChI=1S/C28H40O4/c1-16-14-28-17(2)11-20-22(26(20,3)4)19(24(28)30)12-18(15-29)13-21(28)23(16)32-25(31)27(5)9-7-6-8-10-27/h12,14,17,19-23,29H,6-11,13,15H2,1-5H3/t17-,19+,20-,21-,22?,23+,28-/m1/s1
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n/an/an/an/a 6n/an/a7.425



LEO LABORATORIES LIMITED

US Patent


Assay Description
On the day at experiment Human Protein Kinase C betaII (PKCbII, Millipore cat#14-496) was incubated with 20 mM HEPES pH 7.4, 0.03% Triton X-100, 0.1 ...


US Patent US9409931 (2016)


BindingDB Entry DOI: 10.7270/Q2NP23BW
More data for this
Ligand-Target Pair
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139


(Homo sapiens (Human))
BDBM50099066
PNG
(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
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n/an/an/an/a 9.5n/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Activation of PKC in human platelet assessed as induction of platelet aggregation measured within 15 mins by tribidimetric method


J Nat Prod 79: 2658-2666 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00603
BindingDB Entry DOI: 10.7270/Q24T6N3M
More data for this
Ligand-Target Pair
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139


(Homo sapiens (Human))
BDBM50470108
PNG
(AGN 204332 | Ingenol Mebutate | PEP-005 | PEP005 |...)
Show SMILES [H][C@@]12C[C@@]([H])(C)[C@]34C=C(C)[C@]([H])(OC(=O)C(\C)=C/C)[C@@]3(O)[C@]([H])(O)C(CO)=C[C@]([H])(C4=O)[C@]1([H])C2(C)C |r,c:27,t:7|
Show InChI InChI=1S/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16+,17-,18+,19-,21+,24+,25+/m1/s1
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n/an/an/an/a 73n/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Activation of PKC in human platelet assessed as induction of platelet aggregation measured within 15 mins by tribidimetric method


J Nat Prod 79: 2658-2666 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00603
BindingDB Entry DOI: 10.7270/Q24T6N3M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139


(Homo sapiens (Human))
BDBM50368315
PNG
(PROSTRATIN)
Show SMILES C[C@@H]1C[C@]2(OC(C)=O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C |r,t:10,18|
Show InChI InChI=1S/C22H30O6/c1-11-6-16-20(26,18(11)25)9-14(10-23)7-15-17-19(4,5)21(17,28-13(3)24)8-12(2)22(15,16)27/h6-7,12,15-17,23,26-27H,8-10H2,1-5H3/t12-,15+,16-,17?,20-,21+,22-/m1/s1
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n/an/an/an/a 910n/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Activation of PKC in human platelet assessed as induction of platelet aggregation measured within 15 mins by tribidimetric method


J Nat Prod 79: 2658-2666 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00603
BindingDB Entry DOI: 10.7270/Q24T6N3M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139


(Homo sapiens (Human))
BDBM50470110
PNG
(CHEMBL4071723)
Show SMILES [H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)C(\C)=C/C)[C@@]3(O)[C@H](O)C(C)=C[C@]([H])(C4=O)[C@]1([H])C2(C)C |r,c:23,t:6|
Show InChI InChI=1S/C25H34O5/c1-8-12(2)22(28)30-21-14(4)11-24-15(5)10-17-18(23(17,6)7)16(20(24)27)9-13(3)19(26)25(21,24)29/h8-9,11,15-19,21,26,29H,10H2,1-7H3/b12-8-/t15-,16+,17-,18+,19-,21+,24+,25+/m1/s1
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n/an/an/an/a 5.04E+3n/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Activation of PKC in human platelet assessed as induction of platelet aggregation measured within 15 mins by tribidimetric method


J Nat Prod 79: 2658-2666 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00603
BindingDB Entry DOI: 10.7270/Q24T6N3M
More data for this
Ligand-Target Pair
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139


(Homo sapiens (Human))
BDBM50470109
PNG
(CHEMBL4104319)
Show SMILES [H][C@]12[C@]3([H])C=C(COC(C)=O)C[C@]4(O)C(=O)C(C)=C[C@@]4([H])[C@@]3(O)[C@H](C)C[C@@]1(OCC(C)C)[C@]2(C)COC(=O)C(\C)=C/C |r,c:17,t:4|
Show InChI InChI=1S/C31H44O8/c1-9-18(4)27(34)38-16-28(8)25-23-11-22(15-37-21(7)32)13-29(35)24(10-19(5)26(29)33)31(23,36)20(6)12-30(25,28)39-14-17(2)3/h9-11,17,20,23-25,35-36H,12-16H2,1-8H3/b18-9-/t20-,23+,24-,25-,28-,29-,30+,31-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.08E+3n/an/an/an/a



Kaohsiung Medical University

Curated by ChEMBL


Assay Description
Activation of PKC in human platelet assessed as induction of platelet aggregation measured within 15 mins by tribidimetric method


J Nat Prod 79: 2658-2666 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00603
BindingDB Entry DOI: 10.7270/Q24T6N3M
More data for this
Ligand-Target Pair