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Compile Data Set for Download or QSAR

Found 11 hits of ki for UniProtKB: O94806   
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
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139


(Homo sapiens (Human))
BDBM50228843
PNG
(CHEMBL436718)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)CCNCCNS(=O)(=O)c1cccc2cnccc12)C(O)=O
Show InChI InChI=1S/C53H94N28O12S/c54-48(55)68-18-2-9-32(41(84)77-34(11-4-20-70-50(58)59)43(86)79-36(13-6-22-72-52(62)63)45(88)81-37(47(90)91)14-7-23-73-53(64)65)76-42(85)33(10-3-19-69-49(56)57)78-44(87)35(12-5-21-71-51(60)61)80-46(89)38(29-82)75-40(83)17-25-66-26-27-74-94(92,93)39-15-1-8-30-28-67-24-16-31(30)39/h1,8,15-16,24,28,32-38,66,74,82H,2-7,9-14,17-23,25-27,29H2,(H,75,83)(H,76,85)(H,77,84)(H,78,87)(H,79,86)(H,80,89)(H,81,88)(H,90,91)(H4,54,55,68)(H4,56,57,69)(H4,58,59,70)(H4,60,61,71)(H4,62,63,72)(H4,64,65,73)/t32-,33-,34-,35-,36-,37-,38-/m0/s1
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100n/an/an/an/an/an/an/an/a



URA CNRS 1309

Curated by ChEMBL


Assay Description
Displacement of ATP from protein kinase C (PKC)


J Med Chem 34: 73-8 (1991)


BindingDB Entry DOI: 10.7270/Q2J38VS9
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/gamma/delta/epsilon/eta/theta type/Serine/threonine-protein kinase D1/D3


(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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190n/an/an/an/an/an/an/an/a



National Cancer Institute (NCI)

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu binding to Protein kinase C of CEM cells with 10% fetal calf serum


J Med Chem 35: 1978-86 (1992)


BindingDB Entry DOI: 10.7270/Q22Z17SG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C alpha/beta/gamma/delta/epsilon/eta/theta type/Serine/threonine-protein kinase D1/D3


(Homo sapiens (Human))
BDBM50281846
PNG
((2R,3R)-2-Hydroxymethyl-5-oxo-4-tridec-(E)-ylidene...)
Show SMILES CCCCCCCCCCCCC\C=C1\[C@@H](OC(C)=O)[C@H](CO)OC1=O
Show InChI InChI=1S/C21H36O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-20(25-17(2)23)19(16-22)26-21(18)24/h15,19-20,22H,3-14,16H2,1-2H3/b18-15-/t19-,20+/m0/s1
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200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [20-3H]phorbol-12,13-dibutyrate (PDBU) binding to protein kinase C


Bioorg Med Chem Lett 3: 1107-1110 (1993)


Article DOI: 10.1016/S0960-894X(00)80296-6
BindingDB Entry DOI: 10.7270/Q20C4VQP
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/gamma/delta/epsilon/eta/theta type/Serine/threonine-protein kinase D1/D3


(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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210n/an/an/an/an/an/an/an/a



National Cancer Institute (NCI)

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from Protein kinase C of CEM cells


J Med Chem 35: 1978-86 (1992)


BindingDB Entry DOI: 10.7270/Q22Z17SG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C alpha/beta/gamma/delta/epsilon/eta/theta type/Serine/threonine-protein kinase D1/D3


(Homo sapiens (Human))
BDBM50281845
PNG
((2R,3R)-2-Hydroxymethyl-5-oxo-4-tridec-(E)-ylidene...)
Show SMILES CCCCCCCCCCCCC\C=C1/[C@@H](OC(C)=O)[C@H](CO)OC1=O
Show InChI InChI=1S/C21H36O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-20(25-17(2)23)19(16-22)26-21(18)24/h15,19-20,22H,3-14,16H2,1-2H3/b18-15+/t19-,20+/m0/s1
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600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [20-3H]phorbol-12,13-dibutyrate (PDBU) binding to protein kinase C


Bioorg Med Chem Lett 3: 1107-1110 (1993)


Article DOI: 10.1016/S0960-894X(00)80296-6
BindingDB Entry DOI: 10.7270/Q20C4VQP
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/gamma/delta/epsilon/eta/theta type/Serine/threonine-protein kinase D1/D3


(Homo sapiens (Human))
BDBM50041403
PNG
((2R,3R,4R)-2-Hydroxymethyl-5-oxo-4-tetradecyl-tetr...)
Show SMILES CCCCCCCCCCCCCC[C@@H]1[C@@H](OC(C)=O)[C@H](CO)OC1=O
Show InChI InChI=1S/C21H38O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-20(25-17(2)23)19(16-22)26-21(18)24/h18-20,22H,3-16H2,1-2H3/t18-,19+,20-/m1/s1
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600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [20-3H]phorbol-12,13-dibutyrate (PDBU) binding to protein kinase C


Bioorg Med Chem Lett 3: 1107-1110 (1993)


Article DOI: 10.1016/S0960-894X(00)80296-6
BindingDB Entry DOI: 10.7270/Q20C4VQP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D3


(Homo sapiens (Human))
BDBM50463479
PNG
(CHEMBL4249925)
Show SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C19H17N5O3S2/c1-29(26,27)24-13-5-2-4-12(8-13)9-17(25)23-19-22-16(11-28-19)15-10-21-18-14(15)6-3-7-20-18/h2-8,10-11,24H,9H2,1H3,(H,20,21)(H,22,23,25)
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>2.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of PRKD3 (unknown origin)


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D3


(Homo sapiens (Human))
BDBM50463483
PNG
(CHEMBL4245242)
Show SMILES O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C26H29N5O2S/c32-24(31-26-30-23(17-34-26)22-16-29-25-21(22)7-2-10-28-25)15-19-4-1-6-20(14-19)33-13-3-5-18-8-11-27-12-9-18/h1-2,4,6-7,10,14,16-18,27H,3,5,8-9,11-13,15H2,(H,28,29)(H,30,31,32)
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>2.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of PRKD3 (unknown origin)


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139


(Homo sapiens (Human))
BDBM50216682
PNG
(1-(5-Isoquinolinesulfonyl)-2-methylpiperazine | 1-...)
Show SMILES CC1CNCCN1S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14/h2-6,10-11,16H,7-9H2,1H3
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6.00E+3n/an/an/an/an/an/an/an/a



URA CNRS 1309

Curated by ChEMBL


Assay Description
Displacement of ATP from protein kinase C (PKC)


J Med Chem 34: 73-8 (1991)


BindingDB Entry DOI: 10.7270/Q2J38VS9
More data for this
Ligand-Target Pair
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139


(Homo sapiens (Human))
BDBM50228839
PNG
(CHEMBL415414)
Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]S(=O)(=O)c1cccc2cnccc12)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C54H94N28O13S/c1-28(74-41(85)29(2)82-96(94,95)39-17-3-10-30-26-67-25-18-31(30)39)40(84)81-38(27-83)47(91)79-35(14-7-22-71-52(61)62)45(89)77-33(12-5-20-69-50(57)58)43(87)75-32(11-4-19-68-49(55)56)42(86)76-34(13-6-21-70-51(59)60)44(88)78-36(15-8-23-72-53(63)64)46(90)80-37(48(92)93)16-9-24-73-54(65)66/h3,10,17-18,25-26,28-29,32-38,82-83H,4-9,11-16,19-24,27H2,1-2H3,(H,74,85)(H,75,87)(H,76,86)(H,77,89)(H,78,88)(H,79,91)(H,80,90)(H,81,84)(H,92,93)(H4,55,56,68)(H4,57,58,69)(H4,59,60,70)(H4,61,62,71)(H4,63,64,72)(H4,65,66,73)/t28-,29-,32-,33-,34-,35-,36-,37-,38-/m0/s1
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8.00E+3n/an/an/an/an/an/an/an/a



URA CNRS 1309

Curated by ChEMBL


Assay Description
Displacement of ATP from protein kinase C (PKC)


J Med Chem 34: 73-8 (1991)


BindingDB Entry DOI: 10.7270/Q2J38VS9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D3


(Homo sapiens (Human))
BDBM50224883
PNG
(7-chloro-3-oxo-8-[(thiazol-5-ylmethyl)-amino]-11,1...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Show InChI InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29)
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>9.22E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PRKCN


Bioorg Med Chem Lett 17: 6593-601 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.063
BindingDB Entry DOI: 10.7270/Q2X067WT
More data for this
Ligand-Target Pair