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Compile Data Set for Download or QSAR

Found 1978 hits with Last Name = 'nakamura' and Initial = 'y'   
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, eta


(Homo sapiens (Human))
BDBM50097750
PNG
(Butyric acid (1aR,1bS,4aS,7aR,7bR,8R,9R,9aS)-9-but...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC |c:22,t:12|
Show InChI InChI=1S/C28H40O7/c1-7-9-21(30)34-25-16(4)27(33)19-11-15(3)23(32)18(19)12-17(14-29)13-20(27)24-26(5,6)28(24,25)35-22(31)10-8-2/h11,13,16,18-20,24-25,29,33H,7-10,12,14H2,1-6H3/t16-,18+,19-,20+,24?,25-,27+,28-/m1/s1
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0.350n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of 3[H]PDBu from Protein kinase C eta C1b domain


Bioorg Med Chem Lett 11: 719-22 (2001)


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50097750
PNG
(Butyric acid (1aR,1bS,4aS,7aR,7bR,8R,9R,9aS)-9-but...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC |c:22,t:12|
Show InChI InChI=1S/C28H40O7/c1-7-9-21(30)34-25-16(4)27(33)19-11-15(3)23(32)18(19)12-17(14-29)13-20(27)24-26(5,6)28(24,25)35-22(31)10-8-2/h11,13,16,18-20,24-25,29,33H,7-10,12,14H2,1-6H3/t16-,18+,19-,20+,24?,25-,27+,28-/m1/s1
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0.550n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of 3[H]PDBu from Protein kinase C delta C1a domain


Bioorg Med Chem Lett 11: 719-22 (2001)


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50097750
PNG
(Butyric acid (1aR,1bS,4aS,7aR,7bR,8R,9R,9aS)-9-but...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC |c:22,t:12|
Show InChI InChI=1S/C28H40O7/c1-7-9-21(30)34-25-16(4)27(33)19-11-15(3)23(32)18(19)12-17(14-29)13-20(27)24-26(5,6)28(24,25)35-22(31)10-8-2/h11,13,16,18-20,24-25,29,33H,7-10,12,14H2,1-6H3/t16-,18+,19-,20+,24?,25-,27+,28-/m1/s1
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0.580n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of 3[H]PDBu from Protein kinase C epsilon C1b domain


Bioorg Med Chem Lett 11: 719-22 (2001)


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50097750
PNG
(Butyric acid (1aR,1bS,4aS,7aR,7bR,8R,9R,9aS)-9-but...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC |c:22,t:12|
Show InChI InChI=1S/C28H40O7/c1-7-9-21(30)34-25-16(4)27(33)19-11-15(3)23(32)18(19)12-17(14-29)13-20(27)24-26(5,6)28(24,25)35-22(31)10-8-2/h11,13,16,18-20,24-25,29,33H,7-10,12,14H2,1-6H3/t16-,18+,19-,20+,24?,25-,27+,28-/m1/s1
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0.730n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of 3[H]PDBu from Protein kinase C theta C1b domain


Bioorg Med Chem Lett 11: 719-22 (2001)


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM50057512
PNG
((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
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0.950n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of 3[H]PDBu from Protein kinase C eta C1b domain


Bioorg Med Chem Lett 11: 719-22 (2001)


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50057512
PNG
((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
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1n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of 3[H]PDBu from Protein kinase C delta C1a domain


Bioorg Med Chem Lett 11: 719-22 (2001)


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50057512
PNG
((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
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1.40n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of 3[H]PDBu from Protein kinase C epsilon C1b domain


Bioorg Med Chem Lett 11: 719-22 (2001)


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM26976
PNG
(2-benzoylquinazoline analogue, (1R, 2S)-17 | N-(4-...)
Show SMILES [#6]-c1ccc2nc(-[#7]-[#6](=O)-c3ccc(Cl)cc3)nc(-[#7]-[#6@H]-3-[#6]-[#6]-[#6]-[#6]-[#6@H]-3\[#7]=[#6](/[#7])-[#7])c2c1 |r|
Show InChI InChI=1S/C23H26ClN7O/c1-13-6-11-17-16(12-13)20(27-18-4-2-3-5-19(18)28-22(25)26)30-23(29-17)31-21(32)14-7-9-15(24)10-8-14/h6-12,18-19H,2-5H2,1H3,(H4,25,26,28)(H2,27,29,30,31,32)/t18-,19+/m0/s1
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1.40 -50.5n/an/an/an/an/a7.825



Nippon Shinyaku Co.



Assay Description
Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...


Bioorg Med Chem 17: 119-32 (2009)


Article DOI: 10.1016/j.bmc.2008.11.012
BindingDB Entry DOI: 10.7270/Q2Q52MX5
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50057512
PNG
((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
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1.5n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of 3[H]PDBu from Protein kinase C theta C1b domain


Bioorg Med Chem Lett 11: 719-22 (2001)


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50057512
PNG
((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
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1.60n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of 3[H]PDBu from Protein kinase C alpha C1a domain


Bioorg Med Chem Lett 11: 719-22 (2001)


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50057512
PNG
((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
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1.60n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of 3[H]PDBu from Protein kinase C eta C1a domain


Bioorg Med Chem Lett 11: 719-22 (2001)


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50097750
PNG
(Butyric acid (1aR,1bS,4aS,7aR,7bR,8R,9R,9aS)-9-but...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC |c:22,t:12|
Show InChI InChI=1S/C28H40O7/c1-7-9-21(30)34-25-16(4)27(33)19-11-15(3)23(32)18(19)12-17(14-29)13-20(27)24-26(5,6)28(24,25)35-22(31)10-8-2/h11,13,16,18-20,24-25,29,33H,7-10,12,14H2,1-6H3/t16-,18+,19-,20+,24?,25-,27+,28-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of 3[H]PDBu from Protein kinase C eta C1a domain


Bioorg Med Chem Lett 11: 719-22 (2001)


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50057512
PNG
((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
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1.80n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of 3[H]PDBu from Protein kinase C epsilon C1a domain


Bioorg Med Chem Lett 11: 719-22 (2001)


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50057512
PNG
((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
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2n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of 3[H]PDBu from Protein kinase C beta C1a domain


Bioorg Med Chem Lett 11: 719-22 (2001)


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 10 (GPR10)


(Homo sapiens (Human))
BDBM195644
PNG
(US9206173, 2406)
Show SMILES CC#CCn1c(N[C@@H](C)c2ccc(cc2)C(F)(F)F)nc2CCN(Cc2c1=O)C(=O)c1ccc(cc1F)C#N |r|
Show InChI InChI=1/C28H23F4N5O2/c1-3-4-12-37-26(39)22-16-36(25(38)21-10-5-18(15-33)14-23(21)29)13-11-24(22)35-27(37)34-17(2)19-6-8-20(9-7-19)28(30,31)32/h5-10,14,17H,11-13,16H2,1-2H3,(H,34,35)/t17-/s2
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US Patent
2 -49.7n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Receptor-expressing HEK 293 cell membrane fraction was analyzed by modifying the methods of C. J. Langmead et al. (see Langmead C J, Szekeres P G; Ch...


US Patent US9206173 (2015)


BindingDB Entry DOI: 10.7270/Q23X85FS
More data for this
Ligand-Target Pair
G-protein coupled receptor 10 (GPR10)


(Homo sapiens (Human))
BDBM195624
PNG
(US9206173, 2386)
Show SMILES COn1c(NC(C)c2ccc(cc2)C(F)(F)F)nc2CCN(Cc2c1=O)C(=O)c1ccc(cc1)C#N
Show InChI InChI=1/C25H22F3N5O3/c1-15(17-7-9-19(10-8-17)25(26,27)28)30-24-31-21-11-12-32(14-20(21)23(35)33(24)36-2)22(34)18-5-3-16(13-29)4-6-18/h3-10,15H,11-12,14H2,1-2H3,(H,30,31)
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2 -49.7n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Receptor-expressing HEK 293 cell membrane fraction was analyzed by modifying the methods of C. J. Langmead et al. (see Langmead C J, Szekeres P G; Ch...


US Patent US9206173 (2015)


BindingDB Entry DOI: 10.7270/Q23X85FS
More data for this
Ligand-Target Pair
G-protein coupled receptor 10 (GPR10)


(Homo sapiens (Human))
BDBM195673
PNG
(US9206173, 2435)
Show SMILES C[C@H](Nc1nc2CCN(Cc2c(=O)n1CCC#C)C(=O)c1ccc(cc1F)C#N)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1/C28H23F4N5O2/c1-3-4-12-37-26(39)22-16-36(25(38)21-10-5-18(15-33)14-23(21)29)13-11-24(22)35-27(37)34-17(2)19-6-8-20(9-7-19)28(30,31)32/h1,5-10,14,17H,4,11-13,16H2,2H3,(H,34,35)/t17-/s2
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2 -49.7n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Receptor-expressing HEK 293 cell membrane fraction was analyzed by modifying the methods of C. J. Langmead et al. (see Langmead C J, Szekeres P G; Ch...


US Patent US9206173 (2015)


BindingDB Entry DOI: 10.7270/Q23X85FS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM26975
PNG
(2-benzoylquinazoline analogue, (rac)-17 | N-{4-[(2...)
Show SMILES [#6]-c1ccc2nc(-[#7]-[#6](=O)-c3ccc(Cl)cc3)nc(-[#7]-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3\[#7]=[#6](/[#7])-[#7])c2c1
Show InChI InChI=1S/C23H26ClN7O/c1-13-6-11-17-16(12-13)20(27-18-4-2-3-5-19(18)28-22(25)26)30-23(29-17)31-21(32)14-7-9-15(24)10-8-14/h6-12,18-19H,2-5H2,1H3,(H4,25,26,28)(H2,27,29,30,31,32)
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2.10 -49.5n/an/an/an/an/a7.825



Nippon Shinyaku Co.



Assay Description
Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp...


Bioorg Med Chem 17: 119-32 (2009)


Article DOI: 10.1016/j.bmc.2008.11.012
BindingDB Entry DOI: 10.7270/Q2Q52MX5
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50097750
PNG
(Butyric acid (1aR,1bS,4aS,7aR,7bR,8R,9R,9aS)-9-but...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC |c:22,t:12|
Show InChI InChI=1S/C28H40O7/c1-7-9-21(30)34-25-16(4)27(33)19-11-15(3)23(32)18(19)12-17(14-29)13-20(27)24-26(5,6)28(24,25)35-22(31)10-8-2/h11,13,16,18-20,24-25,29,33H,7-10,12,14H2,1-6H3/t16-,18+,19-,20+,24?,25-,27+,28-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of 3[H]PDBu from Protein kinase C beta C1a domain


Bioorg Med Chem Lett 11: 719-22 (2001)


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50097750
PNG
(Butyric acid (1aR,1bS,4aS,7aR,7bR,8R,9R,9aS)-9-but...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC |c:22,t:12|
Show InChI InChI=1S/C28H40O7/c1-7-9-21(30)34-25-16(4)27(33)19-11-15(3)23(32)18(19)12-17(14-29)13-20(27)24-26(5,6)28(24,25)35-22(31)10-8-2/h11,13,16,18-20,24-25,29,33H,7-10,12,14H2,1-6H3/t16-,18+,19-,20+,24?,25-,27+,28-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of 3[H]PDBu from Protein kinase C gamma C1b domain


Bioorg Med Chem Lett 11: 719-22 (2001)


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50057512
PNG
((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
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2.90n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of 3[H]PDBu from Protein kinase C gamma C1a domain


Bioorg Med Chem Lett 11: 719-22 (2001)


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 10 (GPR10)


(Homo sapiens (Human))
BDBM195733
PNG
(US9206173, 2495)
Show SMILES COn1c(N[C@@H](C)c2ccc(Cl)cc2)nc2CCN(Cc2c1=O)C(=O)c1cc2cccnc2s1 |r|
Show InChI InChI=1/C24H22ClN5O3S/c1-14(15-5-7-17(25)8-6-15)27-24-28-19-9-11-29(13-18(19)22(31)30(24)33-2)23(32)20-12-16-4-3-10-26-21(16)34-20/h3-8,10,12,14H,9,11,13H2,1-2H3,(H,27,28)/t14-/s2
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3 -48.6n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Receptor-expressing HEK 293 cell membrane fraction was analyzed by modifying the methods of C. J. Langmead et al. (see Langmead C J, Szekeres P G; Ch...


US Patent US9206173 (2015)


BindingDB Entry DOI: 10.7270/Q23X85FS
More data for this
Ligand-Target Pair
G-protein coupled receptor 10 (GPR10)


(Homo sapiens (Human))
BDBM195701
PNG
(US9206173, 2463)
Show SMILES CC(Nc1nc2CCN(Cc2c(=O)n1N1CCOCC1)C(=O)c1ccc(cc1F)C#N)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C28H26F4N6O3/c1-17(19-3-5-20(6-4-19)28(30,31)32)34-27-35-24-8-9-36(25(39)21-7-2-18(15-33)14-23(21)29)16-22(24)26(40)38(27)37-10-12-41-13-11-37/h2-7,14,17H,8-13,16H2,1H3,(H,34,35)
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3 -48.6n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Receptor-expressing HEK 293 cell membrane fraction was analyzed by modifying the methods of C. J. Langmead et al. (see Langmead C J, Szekeres P G; Ch...


US Patent US9206173 (2015)


BindingDB Entry DOI: 10.7270/Q23X85FS
More data for this
Ligand-Target Pair
G-protein coupled receptor 10 (GPR10)


(Homo sapiens (Human))
BDBM195690
PNG
(US9206173, 2452)
Show SMILES COn1c(NC(C)c2ccc(cc2)C(F)(F)F)nc2CCN(Cc2c1=O)C(=O)c1ccc(C)c(C)c1
Show InChI InChI=1/C26H27F3N4O3/c1-15-5-6-19(13-16(15)2)23(34)32-12-11-22-21(14-32)24(35)33(36-4)25(31-22)30-17(3)18-7-9-20(10-8-18)26(27,28)29/h5-10,13,17H,11-12,14H2,1-4H3,(H,30,31)
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4 -47.9n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Receptor-expressing HEK 293 cell membrane fraction was analyzed by modifying the methods of C. J. Langmead et al. (see Langmead C J, Szekeres P G; Ch...


US Patent US9206173 (2015)


BindingDB Entry DOI: 10.7270/Q23X85FS
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50097750
PNG
(Butyric acid (1aR,1bS,4aS,7aR,7bR,8R,9R,9aS)-9-but...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC |c:22,t:12|
Show InChI InChI=1S/C28H40O7/c1-7-9-21(30)34-25-16(4)27(33)19-11-15(3)23(32)18(19)12-17(14-29)13-20(27)24-26(5,6)28(24,25)35-22(31)10-8-2/h11,13,16,18-20,24-25,29,33H,7-10,12,14H2,1-6H3/t16-,18+,19-,20+,24?,25-,27+,28-/m1/s1
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4.10n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of 3[H]PDBu from Protein kinase C delta C1a domain


Bioorg Med Chem Lett 11: 719-22 (2001)


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50097750
PNG
(Butyric acid (1aR,1bS,4aS,7aR,7bR,8R,9R,9aS)-9-but...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC |c:22,t:12|
Show InChI InChI=1S/C28H40O7/c1-7-9-21(30)34-25-16(4)27(33)19-11-15(3)23(32)18(19)12-17(14-29)13-20(27)24-26(5,6)28(24,25)35-22(31)10-8-2/h11,13,16,18-20,24-25,29,33H,7-10,12,14H2,1-6H3/t16-,18+,19-,20+,24?,25-,27+,28-/m1/s1
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4.5n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of 3[H]PDBu from Protein kinase C beta C1a domain


Bioorg Med Chem Lett 11: 719-22 (2001)


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 10 (GPR10)


(Homo sapiens (Human))
BDBM195613
PNG
(US9206173, 1)
Show SMILES C[C@H](Nc1nc2CCN(Cc2c(=O)n1CC#C)C(=O)c1ccc(cc1F)C#N)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1/C27H21F4N5O2/c1-3-11-36-25(38)21-15-35(24(37)20-9-4-17(14-32)13-22(20)28)12-10-23(21)34-26(36)33-16(2)18-5-7-19(8-6-18)27(29,30)31/h1,4-9,13,16H,10-12,15H2,2H3,(H,33,34)/t16-/s2
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5 -47.4n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Receptor-expressing HEK 293 cell membrane fraction was analyzed by modifying the methods of C. J. Langmead et al. (see Langmead C J, Szekeres P G; Ch...


US Patent US9206173 (2015)


BindingDB Entry DOI: 10.7270/Q23X85FS
More data for this
Ligand-Target Pair
G-protein coupled receptor 10 (GPR10)


(Homo sapiens (Human))
BDBM195749
PNG
(US9206173, 95)
Show SMILES CCOn1c(N[C@H](C)c2ccc(cc2)C(F)(F)F)nc2CCN(Cc2c1=O)C(=O)c1ccc(cc1F)C#N |r|
Show InChI InChI=1/C26H23F4N5O3/c1-3-38-35-24(37)20-14-34(23(36)19-9-4-16(13-31)12-21(19)27)11-10-22(20)33-25(35)32-15(2)17-5-7-18(8-6-17)26(28,29)30/h4-9,12,15H,3,10-11,14H2,1-2H3,(H,32,33)/t15-/s2
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5 -47.4n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Receptor-expressing HEK 293 cell membrane fraction was analyzed by modifying the methods of C. J. Langmead et al. (see Langmead C J, Szekeres P G; Ch...


US Patent US9206173 (2015)


BindingDB Entry DOI: 10.7270/Q23X85FS
More data for this
Ligand-Target Pair
G-protein coupled receptor 10 (GPR10)


(Homo sapiens (Human))
BDBM195671
PNG
(US9206173, 2433)
Show SMILES CN(Nc1nc2CCN(Cc2c(=O)n1CCC#C)C(=O)c1ccc(cc1)C#N)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H23F3N6O2/c1-3-4-14-36-25(38)22-17-35(24(37)19-7-5-18(16-31)6-8-19)15-13-23(22)32-26(36)33-34(2)21-11-9-20(10-12-21)27(28,29)30/h1,5-12H,4,13-15,17H2,2H3,(H,32,33)
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5 -47.4n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Receptor-expressing HEK 293 cell membrane fraction was analyzed by modifying the methods of C. J. Langmead et al. (see Langmead C J, Szekeres P G; Ch...


US Patent US9206173 (2015)


BindingDB Entry DOI: 10.7270/Q23X85FS
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50097750
PNG
(Butyric acid (1aR,1bS,4aS,7aR,7bR,8R,9R,9aS)-9-but...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC |c:22,t:12|
Show InChI InChI=1S/C28H40O7/c1-7-9-21(30)34-25-16(4)27(33)19-11-15(3)23(32)18(19)12-17(14-29)13-20(27)24-26(5,6)28(24,25)35-22(31)10-8-2/h11,13,16,18-20,24-25,29,33H,7-10,12,14H2,1-6H3/t16-,18+,19-,20+,24?,25-,27+,28-/m1/s1
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5.20n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of 3[H]PDBu from Protein kinase C gamma C1a domain


Bioorg Med Chem Lett 11: 719-22 (2001)


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM50057511
PNG
((+/-)-indolactum-V 13-Hydroxymethyl-10-isopropyl-9...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=O)c23
Show InChI InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)/t12-,16-/m0/s1
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5.5n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to Protein kinase C eta C1b domain


Bioorg Med Chem Lett 11: 723-8 (2001)


BindingDB Entry DOI: 10.7270/Q2QV3KRS
More data for this
Ligand-Target Pair
G-protein coupled receptor 10 (GPR10)


(Homo sapiens (Human))
BDBM195694
PNG
(US9206173, 2456)
Show SMILES COn1c(N[C@@H](C)c2ccc(cc2)C(F)(F)F)nc2CCN(Cc2c1=O)C(=O)c1ccc(C=C)cc1 |r|
Show InChI InChI=1/C26H25F3N4O3/c1-4-17-5-7-19(8-6-17)23(34)32-14-13-22-21(15-32)24(35)33(36-3)25(31-22)30-16(2)18-9-11-20(12-10-18)26(27,28)29/h4-12,16H,1,13-15H2,2-3H3,(H,30,31)/t16-/s2
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6 -46.9n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Receptor-expressing HEK 293 cell membrane fraction was analyzed by modifying the methods of C. J. Langmead et al. (see Langmead C J, Szekeres P G; Ch...


US Patent US9206173 (2015)


BindingDB Entry DOI: 10.7270/Q23X85FS
More data for this
Ligand-Target Pair
G-protein coupled receptor 10 (GPR10)


(Homo sapiens (Human))
BDBM195706
PNG
(US9206173, 2468)
Show SMILES COn1c(NC(C)c2ccc(cc2)C(F)(F)F)nc2CCN(Cc2c1=O)C(=O)COc1ccc(cc1)C#N
Show InChI InChI=1/C26H24F3N5O4/c1-16(18-5-7-19(8-6-18)26(27,28)29)31-25-32-22-11-12-33(14-21(22)24(36)34(25)37-2)23(35)15-38-20-9-3-17(13-30)4-10-20/h3-10,16H,11-12,14-15H2,1-2H3,(H,31,32)
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6 -46.9n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Receptor-expressing HEK 293 cell membrane fraction was analyzed by modifying the methods of C. J. Langmead et al. (see Langmead C J, Szekeres P G; Ch...


US Patent US9206173 (2015)


BindingDB Entry DOI: 10.7270/Q23X85FS
More data for this
Ligand-Target Pair
G-protein coupled receptor 10 (GPR10)


(Homo sapiens (Human))
BDBM195640
PNG
(US9206173, 2402)
Show SMILES CC#CCn1c(N[C@@H](C)c2ccc(cc2)C(F)(F)F)nc2CCN(Cc2c1=O)C(=O)c1ccc(cc1)-n1ccnc1 |r|
Show InChI InChI=1/C30H27F3N6O2/c1-3-4-15-39-28(41)25-18-37(27(40)22-7-11-24(12-8-22)38-17-14-34-19-38)16-13-26(25)36-29(39)35-20(2)21-5-9-23(10-6-21)30(31,32)33/h5-12,14,17,19-20H,13,15-16,18H2,1-2H3,(H,35,36)/t20-/s2
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6 -46.9n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Receptor-expressing HEK 293 cell membrane fraction was analyzed by modifying the methods of C. J. Langmead et al. (see Langmead C J, Szekeres P G; Ch...


US Patent US9206173 (2015)


BindingDB Entry DOI: 10.7270/Q23X85FS
More data for this
Ligand-Target Pair
G-protein coupled receptor 10 (GPR10)


(Homo sapiens (Human))
BDBM195722
PNG
(US9206173, 2484)
Show SMILES CN(C)n1c(NN(C)c2ccc(cc2)C(F)(F)F)nc2CCN(Cc2c1=O)C(=O)c1c(F)cc(F)cc1F
Show InChI InChI=1S/C24H22F6N6O2/c1-33(2)36-21(37)16-12-35(22(38)20-17(26)10-14(25)11-18(20)27)9-8-19(16)31-23(36)32-34(3)15-6-4-13(5-7-15)24(28,29)30/h4-7,10-11H,8-9,12H2,1-3H3,(H,31,32)
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6 -46.9n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Receptor-expressing HEK 293 cell membrane fraction was analyzed by modifying the methods of C. J. Langmead et al. (see Langmead C J, Szekeres P G; Ch...


US Patent US9206173 (2015)


BindingDB Entry DOI: 10.7270/Q23X85FS
More data for this
Ligand-Target Pair
G-protein coupled receptor 10 (GPR10)


(Homo sapiens (Human))
BDBM195753
PNG
(US9206173, 166)
Show SMILES C[C@@H](Nc1nc2CCN(Cc2c(=O)n1N1CCCC1)C(=O)c1ccc(cc1F)C#N)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1/C28H26F4N6O2/c1-17(19-5-7-20(8-6-19)28(30,31)32)34-27-35-24-10-13-36(25(39)21-9-4-18(15-33)14-23(21)29)16-22(24)26(40)38(27)37-11-2-3-12-37/h4-9,14,17H,2-3,10-13,16H2,1H3,(H,34,35)/t17-/s2
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6 -46.9n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Receptor-expressing HEK 293 cell membrane fraction was analyzed by modifying the methods of C. J. Langmead et al. (see Langmead C J, Szekeres P G; Ch...


US Patent US9206173 (2015)


BindingDB Entry DOI: 10.7270/Q23X85FS
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM50057510
PNG
((2S,5S)-8-Decyl-5-hydroxymethyl-2-isopropyl-1-meth...)
Show SMILES CCCCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
Show InChI InChI=1S/C25H42N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-13,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1
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6.40n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to Protein kinase C eta C1b domain


Bioorg Med Chem Lett 11: 723-8 (2001)


BindingDB Entry DOI: 10.7270/Q2QV3KRS
More data for this
Ligand-Target Pair
G-protein coupled receptor 10 (GPR10)


(Homo sapiens (Human))
BDBM195657
PNG
(US9206173, 2419)
Show SMILES COc1ccc(C(=O)N2CCc3nc(NC(C)c4ccc(cc4)C(F)(F)F)n(OC)c(=O)c3C2)c(OC)n1
Show InChI InChI=1/C25H26F3N5O5/c1-14(15-5-7-16(8-6-15)25(26,27)28)29-24-30-19-11-12-32(13-18(19)23(35)33(24)38-4)22(34)17-9-10-20(36-2)31-21(17)37-3/h5-10,14H,11-13H2,1-4H3,(H,29,30)
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7 -46.5n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Receptor-expressing HEK 293 cell membrane fraction was analyzed by modifying the methods of C. J. Langmead et al. (see Langmead C J, Szekeres P G; Ch...


US Patent US9206173 (2015)


BindingDB Entry DOI: 10.7270/Q23X85FS
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50057511
PNG
((+/-)-indolactum-V 13-Hydroxymethyl-10-isopropyl-9...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=O)c23
Show InChI InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)/t12-,16-/m0/s1
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7.70n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to Protein kinase C epsilon C1b domain


Bioorg Med Chem Lett 11: 723-8 (2001)


BindingDB Entry DOI: 10.7270/Q2QV3KRS
More data for this
Ligand-Target Pair
G-protein coupled receptor 10 (GPR10)


(Homo sapiens (Human))
BDBM195695
PNG
(US9206173, 2457)
Show SMILES COn1c(NC(C)c2ccc(cc2)C(F)(F)F)nc2CCN(Cc2c1=O)C(=O)c1ccc(C)c(F)c1
Show InChI InChI=1/C25H24F4N4O3/c1-14-4-5-17(12-20(14)26)22(34)32-11-10-21-19(13-32)23(35)33(36-3)24(31-21)30-15(2)16-6-8-18(9-7-16)25(27,28)29/h4-9,12,15H,10-11,13H2,1-3H3,(H,30,31)
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8 -46.2n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Receptor-expressing HEK 293 cell membrane fraction was analyzed by modifying the methods of C. J. Langmead et al. (see Langmead C J, Szekeres P G; Ch...


US Patent US9206173 (2015)


BindingDB Entry DOI: 10.7270/Q23X85FS
More data for this
Ligand-Target Pair
G-protein coupled receptor 10 (GPR10)


(Homo sapiens (Human))
BDBM195617
PNG
(US9206173, 5)
Show SMILES C[C@H](Nc1nc2CCN(Cc2c(=O)n1N(C)C)C(=O)c1ccc(cc1F)C#N)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1/C26H24F4N6O2/c1-15(17-5-7-18(8-6-17)26(28,29)30)32-25-33-22-10-11-35(14-20(22)24(38)36(25)34(2)3)23(37)19-9-4-16(13-31)12-21(19)27/h4-9,12,15H,10-11,14H2,1-3H3,(H,32,33)/t15-/s2
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8 -46.2n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Receptor-expressing HEK 293 cell membrane fraction was analyzed by modifying the methods of C. J. Langmead et al. (see Langmead C J, Szekeres P G; Ch...


US Patent US9206173 (2015)


BindingDB Entry DOI: 10.7270/Q23X85FS
More data for this
Ligand-Target Pair
G-protein coupled receptor 10 (GPR10)


(Homo sapiens (Human))
BDBM195720
PNG
(US9206173, 2482)
Show SMILES CCC(Nc1nc2CCN(Cc2c(=O)n1OC)C(=O)c1ccc(cc1F)C#N)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C26H23F4N5O3/c1-3-21(16-5-7-17(8-6-16)26(28,29)30)32-25-33-22-10-11-34(14-19(22)24(37)35(25)38-2)23(36)18-9-4-15(13-31)12-20(18)27/h4-9,12,21H,3,10-11,14H2,1-2H3,(H,32,33)
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8 -46.2n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Receptor-expressing HEK 293 cell membrane fraction was analyzed by modifying the methods of C. J. Langmead et al. (see Langmead C J, Szekeres P G; Ch...


US Patent US9206173 (2015)


BindingDB Entry DOI: 10.7270/Q23X85FS
More data for this
Ligand-Target Pair
G-protein coupled receptor 10 (GPR10)


(Homo sapiens (Human))
BDBM195650
PNG
(US9206173, 2412)
Show SMILES CC#CCn1c(N[C@@H](C)c2ccc(cc2)C(F)(F)F)nc2CCN(Cc2c1=O)C(=O)c1ccc2NC(=O)CCc2c1 |r|
Show InChI InChI=1/C30H28F3N5O3/c1-3-4-14-38-28(41)23-17-37(27(40)21-7-11-24-20(16-21)8-12-26(39)35-24)15-13-25(23)36-29(38)34-18(2)19-5-9-22(10-6-19)30(31,32)33/h5-7,9-11,16,18H,8,12-15,17H2,1-2H3,(H,34,36)(H,35,39)/t18-/s2
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8 -46.2n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Receptor-expressing HEK 293 cell membrane fraction was analyzed by modifying the methods of C. J. Langmead et al. (see Langmead C J, Szekeres P G; Ch...


US Patent US9206173 (2015)


BindingDB Entry DOI: 10.7270/Q23X85FS
More data for this
Ligand-Target Pair
G-protein coupled receptor 10 (GPR10)


(Homo sapiens (Human))
BDBM195656
PNG
(US9206173, 2418)
Show SMILES COn1c(NC(C)c2ccc(cc2)C(F)(F)F)nc2CCN(Cc2c1=O)C(=O)c1cnc2ccccc2c1
Show InChI InChI=1/C27H24F3N5O3/c1-16(17-7-9-20(10-8-17)27(28,29)30)32-26-33-23-11-12-34(15-21(23)25(37)35(26)38-2)24(36)19-13-18-5-3-4-6-22(18)31-14-19/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,32,33)
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8 -46.2n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Receptor-expressing HEK 293 cell membrane fraction was analyzed by modifying the methods of C. J. Langmead et al. (see Langmead C J, Szekeres P G; Ch...


US Patent US9206173 (2015)


BindingDB Entry DOI: 10.7270/Q23X85FS
More data for this
Ligand-Target Pair
G-protein coupled receptor 10 (GPR10)


(Homo sapiens (Human))
BDBM195627
PNG
(US9206173, 2389)
Show SMILES COn1c(NC(C)c2ccc(cc2)C(F)(F)F)nc2CCN(Cc2c1=O)C(=O)COc1ccc(Cl)cc1
Show InChI InChI=1/C25H24ClF3N4O4/c1-15(16-3-5-17(6-4-16)25(27,28)29)30-24-31-21-11-12-32(13-20(21)23(35)33(24)36-2)22(34)14-37-19-9-7-18(26)8-10-19/h3-10,15H,11-14H2,1-2H3,(H,30,31)
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8 -46.2n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Receptor-expressing HEK 293 cell membrane fraction was analyzed by modifying the methods of C. J. Langmead et al. (see Langmead C J, Szekeres P G; Ch...


US Patent US9206173 (2015)


BindingDB Entry DOI: 10.7270/Q23X85FS
More data for this
Ligand-Target Pair
G-protein coupled receptor 10 (GPR10)


(Homo sapiens (Human))
BDBM195628
PNG
(US9206173, 2390)
Show SMILES COn1c(NC(C)c2ccc(cc2)C(F)(F)F)nc2CCN(Cc2c1=O)C(=O)CSc1ccc(Cl)cc1
Show InChI InChI=1/C25H24ClF3N4O3S/c1-15(16-3-5-17(6-4-16)25(27,28)29)30-24-31-21-11-12-32(13-20(21)23(35)33(24)36-2)22(34)14-37-19-9-7-18(26)8-10-19/h3-10,15H,11-14H2,1-2H3,(H,30,31)
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8 -46.2n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Receptor-expressing HEK 293 cell membrane fraction was analyzed by modifying the methods of C. J. Langmead et al. (see Langmead C J, Szekeres P G; Ch...


US Patent US9206173 (2015)


BindingDB Entry DOI: 10.7270/Q23X85FS
More data for this
Ligand-Target Pair
G-protein coupled receptor 10 (GPR10)


(Homo sapiens (Human))
BDBM195645
PNG
(US9206173, 2407)
Show SMILES CC#CCn1c(N[C@@H](C)c2ccc(cc2)C(F)(F)F)nc2CCN(Cc2c1=O)C(=O)c1ccc(cc1)C#N |r|
Show InChI InChI=1/C28H24F3N5O2/c1-3-4-14-36-26(38)23-17-35(25(37)21-7-5-19(16-32)6-8-21)15-13-24(23)34-27(36)33-18(2)20-9-11-22(12-10-20)28(29,30)31/h5-12,18H,13-15,17H2,1-2H3,(H,33,34)/t18-/s2
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8 -46.2n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Receptor-expressing HEK 293 cell membrane fraction was analyzed by modifying the methods of C. J. Langmead et al. (see Langmead C J, Szekeres P G; Ch...


US Patent US9206173 (2015)


BindingDB Entry DOI: 10.7270/Q23X85FS
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50057511
PNG
((+/-)-indolactum-V 13-Hydroxymethyl-10-isopropyl-9...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=O)c23
Show InChI InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)/t12-,16-/m0/s1
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8.30n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to Protein kinase C epsilon C1b domain


Bioorg Med Chem Lett 11: 723-8 (2001)


BindingDB Entry DOI: 10.7270/Q2QV3KRS
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50057511
PNG
((+/-)-indolactum-V 13-Hydroxymethyl-10-isopropyl-9...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=O)c23
Show InChI InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)/t12-,16-/m0/s1
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8.70n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to Protein kinase C theta C1b domain


Bioorg Med Chem Lett 11: 723-8 (2001)


BindingDB Entry DOI: 10.7270/Q2QV3KRS
More data for this
Ligand-Target Pair
G-protein coupled receptor 10 (GPR10)


(Homo sapiens (Human))
BDBM195689
PNG
(US9206173, 2451)
Show SMILES CCOc1ccc(cc1)C(=O)N1CCc2nc(NC(C)c3ccc(cc3)C(F)(F)F)n(OC)c(=O)c2C1
Show InChI InChI=1/C26H27F3N4O4/c1-4-37-20-11-7-18(8-12-20)23(34)32-14-13-22-21(15-32)24(35)33(36-3)25(31-22)30-16(2)17-5-9-19(10-6-17)26(27,28)29/h5-12,16H,4,13-15H2,1-3H3,(H,30,31)
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9 -45.9n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Receptor-expressing HEK 293 cell membrane fraction was analyzed by modifying the methods of C. J. Langmead et al. (see Langmead C J, Szekeres P G; Ch...


US Patent US9206173 (2015)


BindingDB Entry DOI: 10.7270/Q23X85FS
More data for this
Ligand-Target Pair
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