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Compile Data Set for Download or QSAR

Found 70 hits Enz. Inhib. hit(s) with all data for entry = 50011446   
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 theta type


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C theta type


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547703
PNG
(CHEMBL4763675)
Show SMILES [H][C@]12C[C@@H](NC)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n2c4c13 |r|
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n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547703
PNG
(CHEMBL4763675)
Show SMILES [H][C@]12C[C@@H](NC)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n2c4c13 |r|
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TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50547703
PNG
(CHEMBL4763675)
Show SMILES [H][C@]12C[C@@H](NC)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n2c4c13 |r|
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n/an/a 21n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PKCdelta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547704
PNG
(CHEMBL4754496)
Show SMILES [H][C@]12C[C@@H](N)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n2c4c13 |r|
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TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547705
PNG
(CHEMBL4758448)
Show SMILES [H][C@]12C[C@@H](NC(C)=O)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547710
PNG
(CHEMBL4777775)
Show SMILES [H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(C)=O |r|
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TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547709
PNG
(CHEMBL4764299)
Show SMILES [H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(C)=O |r|
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TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547714
PNG
(CHEMBL4754636)
Show SMILES [H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N1CC[C@@H](O)C1=O |r|
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TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547711
PNG
(CHEMBL4744662)
Show SMILES [H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C=O |r|
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TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547728
PNG
(CHEMBL4214897)
Show SMILES [H][C@@]1(C[C@@H](N)[C@@H](O)[C@H](C)O1)n1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4[nH]c3c12 |r|
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TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50465330
PNG
(CHEMBL4277459)
Show SMILES [H][C@]12C[C@H](NC(C)=O)[C@@H](O)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H24N4O4/c1-13(33)30-17-11-20-31-18-9-5-3-7-14(18)22-23-16(12-29-27(23)35)21-15-8-4-6-10-19(15)32(25(21)24(22)31)28(2,36-20)26(17)34/h3-10,17,20,26,34H,11-12H2,1-2H3,(H,29,35)(H,30,33)/t17-,20+,26+,28-/m0/s1
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TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50465333
PNG
(CHEMBL4287662)
Show SMILES C[C@@H]1O[C@H](C[C@@H](NC(C)=O)[C@H]1O)n1c2ccc(O)cc2c2c3C(=O)NCc3c3c4ccccc4[nH]c3c12 |r|
Show InChI InChI=1S/C28H26N4O5/c1-12-27(35)19(30-13(2)33)10-21(37-12)32-20-8-7-14(34)9-16(20)23-24-17(11-29-28(24)36)22-15-5-3-4-6-18(15)31-25(22)26(23)32/h3-9,12,19,21,27,31,34-35H,10-11H2,1-2H3,(H,29,36)(H,30,33)/t12-,19+,21+,27-/m0/s1
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TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547741
PNG
(CHEMBL4784365)
Show SMILES [H][C@]12C[C@](OC)(C(OC)=C(C)O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,t:8|
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TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547712
PNG
(CHEMBL4794799)
Show SMILES [H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(N)=O |r|
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TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547722
PNG
(CHEMBL4763267)
Show SMILES [H][C@]12C[C@H](O)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547744
PNG
(CHEMBL4745823)
Show SMILES [H][C@]12C[C@](OC)(C(=O)OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM6760
PNG
((+)-K-252a | CHEMBL281948 | K-252a | methyl (15S,1...)
Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18?,26-,27-/m0/s1
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TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547726
PNG
(CHEMBL4793766)
Show SMILES [H][C@]12CC(=O)[C@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547727
PNG
(CHEMBL4763012)
Show SMILES [H][C@]12C[C@@H](O)[C@@H](O)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547719
PNG
(CHEMBL4749940)
Show SMILES [H][C@@]12O[C@@](C)([C@H](OC)[C@@H](O)[C@H]1O)n1c3ccccc3c3c4[C@H](NC(=O)c4c4c5ccccc5n2c4c13)OC |r|
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TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547716
PNG
(CHEMBL4762704)
Show SMILES [H][C@@]12O[C@@](C)([C@H](OC)[C@@H](O)[C@H]1O)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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n/an/a 1.01E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547706
PNG
(CHEMBL4780192)
Show SMILES C[C@@H]1O[C@H](C[C@H](NC(C)=O)[C@H]1O)n1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4[nH]c3c12 |r|
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n/an/a 1.05E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50118955
PNG
(CHEMBL94678 | Compound K-252a(epi))
Show SMILES COC(=O)[C@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18-,26+,27-/m1/s1
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n/an/a 1.09E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547729
PNG
(CHEMBL4757004)
Show SMILES C[C@@H]1O[C@H](C[C@@H](N)[C@H]1O)n1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12 |r|
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n/an/a 1.18E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547723
PNG
(CHEMBL4762923)
Show SMILES [H][C@]12C[C@@H](O)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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n/an/a 1.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547717
PNG
(CHEMBL4757830)
Show SMILES [H][C@@]12O[C@@](C)([C@H](OC)[C@@H](O)[C@H]1O)n1c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n2c4c13 |r|
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n/an/a 1.42E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547745
PNG
(CHEMBL4758636)
Show SMILES [H][C@]12C[C@H](C(=O)OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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n/an/a 1.68E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547715
PNG
(CHEMBL4759449)
Show SMILES [H][C@]12C[C@@H](NC(=O)C(=O)c3c[nH]c4ccccc34)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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n/an/a 1.79E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547747
PNG
(CHEMBL4745928)
Show SMILES [H][C@]12C[C@](O)(C(O)=O)[C@](C)(O1)n1c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n2c4c13 |r|
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n/an/a 1.86E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547739
PNG
(CHEMBL4760895)
Show SMILES [H][C@]12C[C@](O)([C@@H](O)[C@H](C)O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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n/an/a 1.91E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50465331
PNG
(CHEMBL4294912)
Show SMILES Oc1ccc2[nH]c3c4[nH]c5ccccc5c4c4CNC(=O)c4c3c2c1
Show InChI InChI=1S/C20H13N3O2/c24-9-5-6-14-11(7-9)16-17-12(8-21-20(17)25)15-10-3-1-2-4-13(10)22-18(15)19(16)23-14/h1-7,22-24H,8H2,(H,21,25)
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n/an/a 2.11E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547720
PNG
(CHEMBL4762666)
Show SMILES [H][C@@]12O[C@@](C)([C@H](OC)[C@@H](O)[C@H]1O)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13 |r|
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n/an/a 2.25E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547698
PNG
(CHEMBL4761909)
Show SMILES COc1cc(\C=C(\C(N)=O)n2c3ccccc3c3c4C(=O)NCc4c4c5ccccc5[nH]c4c23)ccc1O
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TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547699
PNG
(CHEMBL4787374)
Show SMILES C[C@H]1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21 |r|
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TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM2581
PNG
(3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...)
Show SMILES O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24)
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TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50054426
PNG
(7-hydroxy-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyr...)
Show SMILES OC1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C20H13N3O2/c24-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(25)23-19)10-6-2-4-8-12(10)22-18/h1-8,19,21-22,24H,(H,23,25)
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TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547700
PNG
(CHEMBL4799894)
Show SMILES COC1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
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TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50465332
PNG
(CHEMBL4284524)
Show SMILES Oc1ccc2[nH]c3c4[nH]c5ccccc5c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C20H13N3O2/c24-9-5-6-14-11(7-9)15-12-8-21-20(25)17(12)16-10-3-1-2-4-13(10)22-19(16)18(15)23-14/h1-7,22-24H,8H2,(H,21,25)
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TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50465336
PNG
(CHEMBL4284275)
Show SMILES COC1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccc(O)cc3c21
Show InChI InChI=1S/C21H15N3O3/c1-27-21-17-14-10-4-2-3-5-12(10)22-18(14)19-15(16(17)20(26)24-21)11-8-9(25)6-7-13(11)23-19/h2-8,21-23,25H,1H3,(H,24,26)
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TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547701
PNG
(CHEMBL4783165)
Show SMILES CN1Cc2c(C1=O)c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
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TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547702
PNG
(CHEMBL4750632)
Show SMILES CNn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12
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TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM2672
PNG
(3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C20H11N3O2/c24-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(25)23-19)10-6-2-4-8-12(10)22-18/h1-8,21-22H,(H,23,24,25)
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TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547707
PNG
(CHEMBL4216395)
Show SMILES [H][C@@]1(C[C@@H](NC(C)=O)[C@@H](O)[C@H](C)O1)n1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4[nH]c3c12 |r|
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TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50465329
PNG
(CHEMBL4279758)
Show SMILES C[C@@H]1O[C@H](C[C@@H](NC(C)=O)[C@H]1O)n1c2ccccc2c2c3C(=O)NCc3c3c4cc(O)ccc4[nH]c3c12 |r|
Show InChI InChI=1S/C28H26N4O5/c1-12-27(35)19(30-13(2)33)10-21(37-12)32-20-6-4-3-5-15(20)23-24-17(11-29-28(24)36)22-16-9-14(34)7-8-18(16)31-25(22)26(23)32/h3-9,12,19,21,27,31,34-35H,10-11H2,1-2H3,(H,29,36)(H,30,33)/t12-,19+,21+,27-/m0/s1
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TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547708
PNG
(CHEMBL4759925)
Show SMILES C[C@@H]1O[C@H](C[C@@H](NC(C)=O)[C@H]1O)n1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12 |r|
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TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547713
PNG
(CHEMBL4751814)
Show SMILES [H][C@]12C[C@@H](NC=O)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547718
PNG
(CHEMBL4798605)
Show SMILES [H][C@@]12O[C@@](C)([C@H](OC)[C@@H](O)[C@H]1O)n1c3ccccc3c3c4[C@@H](NC(=O)c4c4c5ccccc5n2c4c13)OC |r|
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50547721
PNG
(CHEMBL4764914)
Show SMILES [H][C@@]12O[C@@](C)([C@H](OC)[C@@H](O)[C@H]1O)n1c3ccccc3c3c4[C@@H](O)NC(=O)c4c4c5ccccc5n2c4c13 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PKCtheta (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01271
BindingDB Entry DOI: 10.7270/Q26Q21TN
More data for this
Ligand-Target Pair
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