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Patent code US8497385

Compile Data Set for Download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Protein kinase C alpha type


(Rattus norvegicus (Rat))		BDBM98660
PNG
(US8497385, 18C)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)C[C@H](O)CCO[C@@H](C[C@@H]3CCO[C@@H](O3)\C=C\C(C)(C)[C@]1(O)O2)c1ccc(Br)cc1)=C\C(=O)OC |r,t:36|
Show InChI InChI=1S/C41H59BrO13/c1-5-6-7-8-9-10-35(45)54-39-28(22-36(46)49-4)21-32-24-33(26-43)52-37(47)23-30(44)16-19-50-34(27-11-13-29(42)14-12-27)25-31-17-20-51-38(53-31)15-18-40(2,3)41(39,48)55-32/h11-15,18,22,30-34,38-39,43-44,48H,5-10,16-17,19-21,23-26H2,1-4H3/b18-15+,28-22+/t30-,31+,32+,33-,34+,38+,39+,41-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
Binding affinity of protein kinase C (PKC).

US Patent US8497385 (2013)


BindingDB Entry DOI: 10.7270/Q2H41Q15
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Rattus norvegicus (Rat))		BDBM98659
PNG
(US8497385, 19B.0)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)C[C@H](O)CCO[C@@H](C[C@@H]3CCO[C@@H](O3)\C=C\C(C)(C)[C@]1(O)O2)c1ccccc1)=C\C(=O)OC |r,t:36|
Show InChI InChI=1S/C41H60O13/c1-5-6-7-8-12-15-35(44)53-39-29(23-36(45)48-4)22-32-25-33(27-42)51-37(46)24-30(43)17-20-49-34(28-13-10-9-11-14-28)26-31-18-21-50-38(52-31)16-19-40(2,3)41(39,47)54-32/h9-11,13-14,16,19,23,30-34,38-39,42-43,47H,5-8,12,15,17-18,20-22,24-27H2,1-4H3/b19-16+,29-23+/t30-,31+,32+,33-,34+,38+,39+,41-/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
Binding affinity of protein kinase C (PKC).

US Patent US8497385 (2013)


BindingDB Entry DOI: 10.7270/Q2H41Q15
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Rattus norvegicus (Rat))		BDBM98661
PNG
(US8497385, 19B.1)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)C[C@H](O)CCO[C@@H](C[C@@H]3CCO[C@@H](O3)\C=C\C(C)(C)[C@]1(O)O2)c1ccc(cc1)-c1ccccc1)=C\C(=O)OC |r,t:36|
Show InChI InChI=1S/C47H64O13/c1-5-6-7-8-12-15-41(50)59-45-35(27-42(51)54-4)26-38-29-39(31-48)57-43(52)28-36(49)21-24-55-40(34-18-16-33(17-19-34)32-13-10-9-11-14-32)30-37-22-25-56-44(58-37)20-23-46(2,3)47(45,53)60-38/h9-11,13-14,16-20,23,27,36-40,44-45,48-49,53H,5-8,12,15,21-22,24-26,28-31H2,1-4H3/b23-20+,35-27+/t36-,37+,38+,39-,40+,44+,45+,47-/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
Binding affinity of protein kinase C (PKC).

US Patent US8497385 (2013)


BindingDB Entry DOI: 10.7270/Q2H41Q15
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Rattus norvegicus (Rat))		BDBM98662
PNG
(US8497385, 19B.2)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)C[C@H](O)CCO[C@@H](C[C@@H]3CCO[C@@H](O3)\C=C\C(C)(C)[C@]1(O)O2)c1ccc(CCCOCCOCC)cc1)=C\C(=O)OC |r,t:36|
Show InChI InChI=1S/C48H74O15/c1-6-8-9-10-11-14-42(51)62-46-36(29-43(52)55-5)28-39-31-40(33-49)60-44(53)30-37(50)20-24-58-41(35-17-15-34(16-18-35)13-12-23-57-27-26-56-7-2)32-38-21-25-59-45(61-38)19-22-47(3,4)48(46,54)63-39/h15-19,22,29,37-41,45-46,49-50,54H,6-14,20-21,23-28,30-33H2,1-5H3/b22-19+,36-29+/t37-,38+,39+,40-,41+,45+,46+,48-/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
Binding affinity of protein kinase C (PKC).

US Patent US8497385 (2013)


BindingDB Entry DOI: 10.7270/Q2H41Q15
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Rattus norvegicus (Rat))		BDBM98663
PNG
(US8497385, 19B.3)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)C[C@H](O)CCO[C@@H](C[C@@H]3CCO[C@@H](O3)\C=C\C(C)(C)[C@]1(O)O2)c1ccc(\C=C\CCCCCC)cc1)=C\C(=O)OC |r,t:36|
Show InChI InChI=1S/C49H74O13/c1-6-8-10-12-14-15-17-35-19-21-36(22-20-35)42-33-39-25-28-58-46(60-39)23-26-48(3,4)49(55)47(61-43(52)18-16-13-11-9-7-2)37(30-44(53)56-5)29-40(62-49)32-41(34-50)59-45(54)31-38(51)24-27-57-42/h15,17,19-23,26,30,38-42,46-47,50-51,55H,6-14,16,18,24-25,27-29,31-34H2,1-5H3/b17-15+,26-23+,37-30+/t38-,39+,40+,41-,42+,46+,47+,49-/m1/s1
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n/an/a 4.60n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
Binding affinity of protein kinase C (PKC).

US Patent US8497385 (2013)


BindingDB Entry DOI: 10.7270/Q2H41Q15
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Rattus norvegicus (Rat))		BDBM98664
PNG
(US8497385, 19B.4)
Show SMILES CCCCCCCCCCCC\C=C\c1ccc(cc1)[C@@H]1C[C@@H]2CCO[C@@H](O2)\C=C\C(C)(C)[C@]2(O)O[C@@H](C\C(=C/C(=O)OC)[C@@H]2OC(=O)CCCCCCC)C[C@H](CO)OC(=O)C[C@H](O)CCO1 |r,t:30|
Show InChI InChI=1S/C55H86O13/c1-6-8-10-12-13-14-15-16-17-18-20-21-23-41-25-27-42(28-26-41)48-39-45-31-34-64-52(66-45)29-32-54(3,4)55(61)53(67-49(58)24-22-19-11-9-7-2)43(36-50(59)62-5)35-46(68-55)38-47(40-56)65-51(60)37-44(57)30-33-63-48/h21,23,25-29,32,36,44-48,52-53,56-57,61H,6-20,22,24,30-31,33-35,37-40H2,1-5H3/b23-21+,32-29+,43-36+/t44-,45+,46+,47-,48+,52+,53+,55-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
Binding affinity of protein kinase C (PKC).

US Patent US8497385 (2013)


BindingDB Entry DOI: 10.7270/Q2H41Q15
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%