BindingDB logo
myBDB logout

PubMed code 28400232

Compile data set for download or QSAR
Found 11 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 theta type


(Homo sapiens (Human))		BDBM50240305
PNG
(CHEMBL4082370)
Show SMILES CCOc1ccnc2[nH]c(=O)n(-c3nc(ccc3Cl)N3CCCNCC3)c12 |(9.86,-25.53,;10.33,-24.06,;9.3,-22.92,;7.8,-23.24,;7.33,-24.7,;5.81,-25.02,;4.79,-23.88,;5.27,-22.42,;4.5,-21.09,;5.53,-19.94,;5.21,-18.44,;6.93,-20.57,;8.27,-19.8,;9.61,-20.57,;10.94,-19.8,;10.94,-18.25,;9.6,-17.48,;8.27,-18.26,;6.94,-17.49,;12.28,-20.56,;13.54,-19.7,;15.02,-20.15,;15.59,-21.57,;14.82,-22.91,;13.3,-23.15,;12.17,-22.1,;6.77,-22.1,)|
Show InChI InChI=1S/C18H21ClN6O2/c1-2-27-13-6-8-21-16-15(13)25(18(26)23-16)17-12(19)4-5-14(22-17)24-10-3-7-20-9-11-24/h4-6,8,20H,2-3,7,9-11H2,1H3,(H,21,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.0860n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus expression system using fluorescein-PKC as substrate preincub...

Bioorg Med Chem Lett 27: 2497-2501 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.099
BindingDB Entry DOI: 10.7270/Q21G0PCZ
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))		BDBM50240307
PNG
(CHEMBL4065996)
Show SMILES CC(C)(C)OC(=O)N1CCN(C(C1)c1ccccc1)c1ccc(c(n1)-n1c2cccnc2[nH]c1=O)[N+]([O-])=O |(37.81,-23.24,;36.48,-24.01,;36.47,-25.55,;37.8,-24.77,;35.15,-23.24,;33.81,-24,;33.81,-25.54,;32.48,-23.23,;32.48,-21.69,;31.14,-20.91,;29.82,-21.69,;29.81,-23.23,;31.14,-24,;28.49,-24,;27.15,-23.22,;25.82,-23.99,;25.81,-25.53,;27.16,-26.3,;28.48,-25.53,;28.48,-20.92,;28.48,-19.37,;27.14,-18.61,;25.81,-19.38,;25.81,-20.92,;27.15,-21.69,;24.48,-21.69,;24.32,-23.22,;25.34,-24.36,;24.87,-25.81,;23.36,-26.13,;22.34,-24.99,;22.82,-23.53,;22.05,-22.2,;23.08,-21.06,;22.76,-19.55,;25.03,-18.03,;25.81,-16.68,;23.47,-18.04,)|
Show InChI InChI=1S/C26H27N7O5/c1-26(2,3)38-25(35)30-14-15-31(20(16-30)17-8-5-4-6-9-17)21-12-11-19(33(36)37)23(28-21)32-18-10-7-13-27-22(18)29-24(32)34/h4-13,20H,14-16H2,1-3H3,(H,27,29,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.180n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus expression system using fluorescein-PKC as substrate preincub...

Bioorg Med Chem Lett 27: 2497-2501 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.099
BindingDB Entry DOI: 10.7270/Q21G0PCZ
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))		BDBM50240298
PNG
(CHEMBL4092652)
Show SMILES CN1CCCCOc2ccnc3[nH]c(=O)n(-c4nc1ccc4Cl)c23
Show InChI InChI=1S/C16H16ClN5O2/c1-21-8-2-3-9-24-11-6-7-18-14-13(11)22(16(23)20-14)15-10(17)4-5-12(21)19-15/h4-7H,2-3,8-9H2,1H3,(H,18,20,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 0.870n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus expression system using fluorescein-PKC as substrate preincub...

Bioorg Med Chem Lett 27: 2497-2501 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.099
BindingDB Entry DOI: 10.7270/Q21G0PCZ
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))		BDBM50240297
PNG
(CHEMBL4100381)
Show SMILES O=c1[nH]c2ncccc2n1-c1nc(ccc1C#N)N1CCNCC1c1ccccc1 |(4.05,-5.21,;4.37,-6.72,;3.34,-7.86,;4.11,-9.19,;3.63,-10.65,;4.66,-11.8,;6.17,-11.47,;6.64,-10.01,;5.61,-8.88,;5.78,-7.34,;7.11,-6.57,;8.45,-7.34,;9.79,-6.57,;9.78,-5.02,;8.45,-4.26,;7.12,-5.03,;5.78,-4.25,;4.44,-3.48,;11.12,-7.34,;12.45,-6.56,;13.78,-7.34,;13.78,-8.88,;12.45,-9.65,;11.12,-8.88,;9.79,-9.65,;8.46,-8.87,;7.12,-9.64,;7.12,-11.18,;8.46,-11.95,;9.79,-11.18,)|
Show InChI InChI=1S/C22H19N7O/c23-13-16-8-9-19(28-12-11-24-14-18(28)15-5-2-1-3-6-15)26-21(16)29-17-7-4-10-25-20(17)27-22(29)30/h1-10,18,24H,11-12,14H2,(H,25,27,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus expression system using fluorescein-PKC as substrate preincub...

Bioorg Med Chem Lett 27: 2497-2501 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.099
BindingDB Entry DOI: 10.7270/Q21G0PCZ
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))		BDBM50240303
PNG
(CHEMBL4093591)
Show SMILES CN1CCCOc2ccnc3[nH]c(=O)n(-c4nc1ccc4Cl)c23
Show InChI InChI=1S/C15H14ClN5O2/c1-20-7-2-8-23-10-5-6-17-13-12(10)21(15(22)19-13)14-9(16)3-4-11(20)18-14/h3-6H,2,7-8H2,1H3,(H,17,19,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus expression system using fluorescein-PKC as substrate preincub...

Bioorg Med Chem Lett 27: 2497-2501 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.099
BindingDB Entry DOI: 10.7270/Q21G0PCZ
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))		BDBM50240304
PNG
(CHEMBL4099368)
Show SMILES Clc1ccc2OCCCCOc3ccnc4[nH]c(=O)n(-c1n2)c34
Show InChI InChI=1S/C15H13ClN4O3/c16-9-3-4-11-18-14(9)20-12-10(22-7-1-2-8-23-11)5-6-17-13(12)19-15(20)21/h3-6H,1-2,7-8H2,(H,17,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus expression system using fluorescein-PKC as substrate preincub...

Bioorg Med Chem Lett 27: 2497-2501 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.099
BindingDB Entry DOI: 10.7270/Q21G0PCZ
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))		BDBM50240301
PNG
(CHEMBL4074629)
Show SMILES Clc1ccc(nc1-n1c2cccnc2[nH]c1=O)N1CCCNCC1 |(7.24,-4.14,;8.58,-4.91,;9.91,-4.14,;11.24,-4.9,;11.25,-6.45,;9.91,-7.22,;8.57,-6.45,;7.24,-7.22,;7.09,-8.75,;8.11,-9.89,;7.63,-11.34,;6.12,-11.66,;5.1,-10.52,;5.58,-9.06,;4.81,-7.74,;5.84,-6.59,;5.53,-5.09,;12.58,-7.22,;12.46,-8.76,;13.6,-9.8,;15.12,-9.56,;15.89,-8.23,;15.32,-6.8,;13.84,-6.35,)|
Show InChI InChI=1S/C16H17ClN6O/c17-11-4-5-13(22-9-2-6-18-8-10-22)20-15(11)23-12-3-1-7-19-14(12)21-16(23)24/h1,3-5,7,18H,2,6,8-10H2,(H,19,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus expression system using fluorescein-PKC as substrate preincub...

Bioorg Med Chem Lett 27: 2497-2501 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.099
BindingDB Entry DOI: 10.7270/Q21G0PCZ
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))		BDBM50240302
PNG
(CHEMBL4101327)
Show SMILES COc1ccnc2[nH]c(=O)n(-c3nc(ccc3Cl)N3CCNC(C3)c3ccccc3)c12 |(10.07,-36.43,;9.04,-35.28,;7.54,-35.6,;7.06,-37.06,;5.55,-37.38,;4.53,-36.23,;5.01,-34.77,;4.24,-33.45,;5.27,-32.3,;4.95,-30.79,;6.67,-32.93,;8.01,-32.16,;9.34,-32.93,;10.68,-32.16,;10.67,-30.61,;9.34,-29.84,;8.01,-30.62,;6.67,-29.85,;12.02,-32.93,;13.34,-32.15,;14.68,-32.93,;14.68,-34.47,;13.34,-35.24,;12.01,-34.47,;13.34,-36.77,;12,-37.54,;12,-39.08,;13.33,-39.86,;14.67,-39.08,;14.67,-37.54,;6.52,-34.46,)|
Show InChI InChI=1S/C22H21ClN6O2/c1-31-17-9-10-25-20-19(17)29(22(30)27-20)21-15(23)7-8-18(26-21)28-12-11-24-16(13-28)14-5-3-2-4-6-14/h2-10,16,24H,11-13H2,1H3,(H,25,27,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus expression system using fluorescein-PKC as substrate preincub...

Bioorg Med Chem Lett 27: 2497-2501 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.099
BindingDB Entry DOI: 10.7270/Q21G0PCZ
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))		BDBM50240299
PNG
(CHEMBL4071874)
Show SMILES Fc1ccc(nc1-n1c2cccnc2[nH]c1=O)N1CCCNCC1 |(26.29,-15.27,;27.62,-16.04,;28.95,-15.27,;30.29,-16.03,;30.29,-17.58,;28.96,-18.35,;27.62,-17.58,;26.29,-18.35,;26.13,-19.88,;27.15,-21.02,;26.68,-22.47,;25.17,-22.79,;24.15,-21.65,;24.63,-20.19,;23.86,-18.87,;24.89,-17.72,;24.57,-16.22,;31.63,-18.35,;31.51,-19.89,;32.65,-20.93,;34.17,-20.69,;34.94,-19.36,;34.36,-17.93,;32.89,-17.48,)|
Show InChI InChI=1S/C16H17FN6O/c17-11-4-5-13(22-9-2-6-18-8-10-22)20-15(11)23-12-3-1-7-19-14(12)21-16(23)24/h1,3-5,7,18H,2,6,8-10H2,(H,19,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus expression system using fluorescein-PKC as substrate preincub...

Bioorg Med Chem Lett 27: 2497-2501 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.099
BindingDB Entry DOI: 10.7270/Q21G0PCZ
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))		BDBM50240300
PNG
(CHEMBL4063243)
Show SMILES CC(C)CC1CCCN1c1ccc(F)c(n1)-n1c2cccnc2[nH]c1=O |(49.12,-23.7,;50.26,-22.67,;51.73,-23.14,;49.94,-21.17,;51.08,-20.13,;52.59,-20.45,;53.36,-19.12,;52.32,-17.97,;50.92,-18.61,;49.58,-17.84,;49.58,-16.29,;48.24,-15.52,;46.91,-16.29,;45.58,-15.52,;46.91,-17.84,;48.25,-18.61,;45.58,-18.61,;45.42,-20.14,;46.44,-21.27,;45.97,-22.73,;44.46,-23.05,;43.44,-21.9,;43.92,-20.45,;43.15,-19.12,;44.18,-17.98,;43.86,-16.47,)|
Show InChI InChI=1S/C19H22FN5O/c1-12(2)11-13-5-4-10-24(13)16-8-7-14(20)18(22-16)25-15-6-3-9-21-17(15)23-19(25)26/h3,6-9,12-13H,4-5,10-11H2,1-2H3,(H,21,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus expression system using fluorescein-PKC as substrate preincub...

Bioorg Med Chem Lett 27: 2497-2501 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.099
BindingDB Entry DOI: 10.7270/Q21G0PCZ
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))		BDBM50240306
PNG
(CHEMBL4084895)
Show SMILES OC(C1CC1)C1CCCN(C1)c1ccc(F)c(n1)-n1c2cccnc2[nH]c1=O |(32.7,-41.52,;31.37,-40.75,;30.03,-41.51,;28.49,-41.52,;29.26,-42.85,;31.37,-39.21,;32.71,-38.44,;32.71,-36.9,;31.37,-36.12,;30.05,-36.89,;30.04,-38.44,;28.71,-36.12,;28.71,-34.57,;27.37,-33.81,;26.04,-34.58,;24.71,-33.81,;26.04,-36.12,;27.38,-36.89,;24.71,-36.89,;24.55,-38.42,;25.57,-39.56,;25.1,-41.01,;23.59,-41.33,;22.57,-40.19,;23.05,-38.73,;22.28,-37.41,;23.31,-36.26,;22.99,-34.76,)|
Show InChI InChI=1S/C20H22FN5O2/c21-14-7-8-16(25-10-2-3-13(11-25)17(27)12-5-6-12)23-19(14)26-15-4-1-9-22-18(15)24-20(26)28/h1,4,7-9,12-13,17,27H,2-3,5-6,10-11H2,(H,22,24,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus expression system using fluorescein-PKC as substrate preincub...

Bioorg Med Chem Lett 27: 2497-2501 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.099
BindingDB Entry DOI: 10.7270/Q21G0PCZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%