BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 242 hits Enz. Inhib. hit(s) with Target = 'TNNI3K' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
TNNI3K


(Homo sapiens)
BDBM50118382
PNG
(CHEMBL3613198)
Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]cc(Br)c23)c1
Show InChI InChI=1S/C15H17BrN6O2S/c1-17-25(23,24)9-4-5-12(22(2)3)11(6-9)21-15-13-10(16)7-18-14(13)19-8-20-15/h4-8,17H,1-3H3,(H2,18,19,20,21)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.700n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human myc-tagged TNNI3K autophosphorylation overexpressed in HEKMSRII cells preincubated for 30 mins followed by pervanadate solution a...


J Med Chem 58: 7431-48 (2015)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50118381
PNG
(CHEMBL3613197)
Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C16H20N6O2S/c1-10-8-18-15-14(10)16(20-9-19-15)21-12-7-11(25(23,24)17-2)5-6-13(12)22(3)4/h5-9,17H,1-4H3,(H2,18,19,20,21)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 1.60n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human myc-tagged TNNI3K autophosphorylation overexpressed in HEKMSRII cells preincubated for 30 mins followed by pervanadate solution a...


J Med Chem 58: 7431-48 (2015)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50118384
PNG
(CHEMBL3613305)
Show SMILES CNS(=O)(=O)c1ccc(N2CCOCC2)c(Nc2ncnc3[nH]cc(Br)c23)c1
Show InChI InChI=1S/C17H19BrN6O3S/c1-19-28(25,26)11-2-3-14(24-4-6-27-7-5-24)13(8-11)23-17-15-12(18)9-20-16(15)21-10-22-17/h2-3,8-10,19H,4-7H2,1H3,(H2,20,21,22,23)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
PubMed
n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human myc-tagged TNNI3K autophosphorylation overexpressed in HEKMSRII cells preincubated for 30 mins followed by pervanadate solution a...


J Med Chem 58: 7431-48 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TNNI3K


(Homo sapiens)
BDBM50118383
PNG
(CHEMBL3613199)
Show SMILES CNS(=O)(=O)c1ccc(N2CCOCC2)c(Nc2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C18H22N6O3S/c1-12-10-20-17-16(12)18(22-11-21-17)23-14-9-13(28(25,26)19-2)3-4-15(14)24-5-7-27-8-6-24/h3-4,9-11,19H,5-8H2,1-2H3,(H2,20,21,22,23)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human myc-tagged TNNI3K autophosphorylation overexpressed in HEKMSRII cells preincubated for 30 mins followed by pervanadate solution a...


J Med Chem 58: 7431-48 (2015)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50178339
PNG
(CHEMBL3814923)
Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3cc(OCCCN4CCOCC4)ccc23)c1
Show InChI InChI=1S/C24H32N6O4S/c1-25-35(31,32)19-6-8-23(29(2)3)22(16-19)28-24-20-7-5-18(15-21(20)26-17-27-24)34-12-4-9-30-10-13-33-14-11-30/h5-8,15-17,25H,4,9-14H2,1-3H3,(H,26,27,28)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


Bioorg Med Chem Lett 26: 3355-3358 (2016)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50178340
PNG
(CHEMBL3814834)
Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3cc(OC)cc(OC)c23)c1
Show InChI InChI=1S/C19H23N5O4S/c1-20-29(25,26)13-6-7-16(24(2)3)14(10-13)23-19-18-15(21-11-22-19)8-12(27-4)9-17(18)28-5/h6-11,20H,1-5H3,(H,21,22,23)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

AffyNet 
PubMed
n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


Bioorg Med Chem Lett 26: 3355-3358 (2016)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50178342
PNG
(CHEMBL3813948)
Show SMILES CNS(=O)(=O)c1ccc(OCC(F)(F)F)c(Nc2ncnc3cc(OC)cc(OC)c23)c1
Show InChI InChI=1S/C19H19F3N4O5S/c1-23-32(27,28)12-4-5-15(31-9-19(20,21)22)13(8-12)26-18-17-14(24-10-25-18)6-11(29-2)7-16(17)30-3/h4-8,10,23H,9H2,1-3H3,(H,24,25,26)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


Bioorg Med Chem Lett 26: 3355-3358 (2016)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50178343
PNG
(CHEMBL3814097)
Show SMILES CNS(=O)(=O)c1ccc(OCC(F)(F)F)c(Nc2ncnc3cc(OC)c(OC)c(OC)c23)c1
Show InChI InChI=1S/C20H21F3N4O6S/c1-24-34(28,29)11-5-6-14(33-9-20(21,22)23)12(7-11)27-19-16-13(25-10-26-19)8-15(30-2)17(31-3)18(16)32-4/h5-8,10,24H,9H2,1-4H3,(H,25,26,27)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


Bioorg Med Chem Lett 26: 3355-3358 (2016)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50118388
PNG
(CHEMBL3613309)
Show SMILES CNS(=O)(=O)c1ccc(N2CCOCC2)c(Nc2ncnc3[nH]c(cc23)-c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C24H23F3N6O3S/c1-28-37(34,35)17-5-6-21(33-7-9-36-10-8-33)20(12-17)32-23-18-13-19(31-22(18)29-14-30-23)15-3-2-4-16(11-15)24(25,26)27/h2-6,11-14,28H,7-10H2,1H3,(H2,29,30,31,32)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human myc-tagged TNNI3K autophosphorylation overexpressed in HEKMSRII cells preincubated for 30 mins followed by pervanadate solution a...


J Med Chem 58: 7431-48 (2015)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50118381
PNG
(CHEMBL3613197)
Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C16H20N6O2S/c1-10-8-18-15-14(10)16(20-9-19-15)21-12-7-11(25(23,24)17-2)5-6-13(12)22(3)4/h5-9,17H,1-4H3,(H2,18,19,20,21)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


J Med Chem 58: 7431-48 (2015)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50118382
PNG
(CHEMBL3613198)
Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]cc(Br)c23)c1
Show InChI InChI=1S/C15H17BrN6O2S/c1-17-25(23,24)9-4-5-12(22(2)3)11(6-9)21-15-13-10(16)7-18-14(13)19-8-20-15/h4-8,17H,1-3H3,(H2,18,19,20,21)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


J Med Chem 58: 7431-48 (2015)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50178313
PNG
(CHEMBL3814871)
Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3cc(OCCCOC)ccc23)c1
Show InChI InChI=1S/C21H27N5O4S/c1-22-31(27,28)16-7-9-20(26(2)3)19(13-16)25-21-17-8-6-15(30-11-5-10-29-4)12-18(17)23-14-24-21/h6-9,12-14,22H,5,10-11H2,1-4H3,(H,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


Bioorg Med Chem Lett 26: 3355-3358 (2016)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50178344
PNG
(CHEMBL3814798)
Show SMILES CNS(=O)(=O)c1ccc(N2CCOCC2)c(Nc2ncnc3[nH]cc(Cl)c23)c1
Show InChI InChI=1S/C17H19ClN6O3S/c1-19-28(25,26)11-2-3-14(24-4-6-27-7-5-24)13(8-11)23-17-15-12(18)9-20-16(15)21-10-22-17/h2-3,8-10,19H,4-7H2,1H3,(H2,20,21,22,23)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


Bioorg Med Chem Lett 26: 3355-3358 (2016)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50118384
PNG
(CHEMBL3613305)
Show SMILES CNS(=O)(=O)c1ccc(N2CCOCC2)c(Nc2ncnc3[nH]cc(Br)c23)c1
Show InChI InChI=1S/C17H19BrN6O3S/c1-19-28(25,26)11-2-3-14(24-4-6-27-7-5-24)13(8-11)23-17-15-12(18)9-20-16(15)21-10-22-17/h2-3,8-10,19H,4-7H2,1H3,(H2,20,21,22,23)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
PubMed
n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


J Med Chem 58: 7431-48 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TNNI3K


(Homo sapiens)
BDBM50178340
PNG
(CHEMBL3814834)
Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3cc(OC)cc(OC)c23)c1
Show InChI InChI=1S/C19H23N5O4S/c1-20-29(25,26)13-6-7-16(24(2)3)14(10-13)23-19-18-15(21-11-22-19)8-12(27-4)9-17(18)28-5/h6-11,20H,1-5H3,(H,21,22,23)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

AffyNet 
PubMed
n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human myc-tagged TNNI3K autophosphorylation overexpressed in HEKMSR2 cells incubated for 30 mins by time resolved fluorescence assay


Bioorg Med Chem Lett 26: 3355-3358 (2016)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50118384
PNG
(CHEMBL3613305)
Show SMILES CNS(=O)(=O)c1ccc(N2CCOCC2)c(Nc2ncnc3[nH]cc(Br)c23)c1
Show InChI InChI=1S/C17H19BrN6O3S/c1-19-28(25,26)11-2-3-14(24-4-6-27-7-5-24)13(8-11)23-17-15-12(18)9-20-16(15)21-10-22-17/h2-3,8-10,19H,4-7H2,1H3,(H2,20,21,22,23)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
PubMed
n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


Bioorg Med Chem Lett 26: 3355-3358 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TNNI3K


(Homo sapiens)
BDBM50118386
PNG
(CHEMBL3613307)
Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]c(cc23)-c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C22H21F3N6O2S/c1-26-34(32,33)15-7-8-19(31(2)3)18(10-15)30-21-16-11-17(29-20(16)27-12-28-21)13-5-4-6-14(9-13)22(23,24)25/h4-12,26H,1-3H3,(H2,27,28,29,30)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


J Med Chem 58: 7431-48 (2015)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50178342
PNG
(CHEMBL3813948)
Show SMILES CNS(=O)(=O)c1ccc(OCC(F)(F)F)c(Nc2ncnc3cc(OC)cc(OC)c23)c1
Show InChI InChI=1S/C19H19F3N4O5S/c1-23-32(27,28)12-4-5-15(31-9-19(20,21)22)13(8-12)26-18-17-14(24-10-25-18)6-11(29-2)7-16(17)30-3/h4-8,10,23H,9H2,1-3H3,(H,24,25,26)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human myc-tagged TNNI3K autophosphorylation overexpressed in HEKMSR2 cells incubated for 30 mins by time resolved fluorescence assay


Bioorg Med Chem Lett 26: 3355-3358 (2016)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50178306
PNG
(CHEMBL3814998)
Show SMILES CCOc1cc2ncnc(Nc3cc(ccc3OCC(F)(F)F)S(=O)(=O)NC)c2cc1OC
Show InChI InChI=1S/C20H21F3N4O5S/c1-4-31-18-9-14-13(8-17(18)30-3)19(26-11-25-14)27-15-7-12(33(28,29)24-2)5-6-16(15)32-10-20(21,22)23/h5-9,11,24H,4,10H2,1-3H3,(H,25,26,27)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


Bioorg Med Chem Lett 26: 3355-3358 (2016)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50178309
PNG
(CHEMBL3813957)
Show SMILES CNS(=O)(=O)c1ccc(OCC(F)(F)F)c(Nc2ncnc3cc(OCCCN4CCOCC4)ccc23)c1
Show InChI InChI=1S/C24H28F3N5O5S/c1-28-38(33,34)18-4-6-22(37-15-24(25,26)27)21(14-18)31-23-19-5-3-17(13-20(19)29-16-30-23)36-10-2-7-32-8-11-35-12-9-32/h3-6,13-14,16,28H,2,7-12,15H2,1H3,(H,29,30,31)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


Bioorg Med Chem Lett 26: 3355-3358 (2016)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50118429
PNG
(CHEMBL3613185)
Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]c(cc23)-c2ccccc2C)c1
Show InChI InChI=1S/C20H19N5O2S/c1-13-6-3-4-9-16(13)18-11-17-19(22-12-23-20(17)25-18)24-14-7-5-8-15(10-14)28(26,27)21-2/h3-12,21H,1-2H3,(H2,22,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


J Med Chem 58: 7431-48 (2015)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50118464
PNG
(CHEMBL3613186)
Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]c(cc23)-c2cccc(C)c2)c1
Show InChI InChI=1S/C20H19N5O2S/c1-13-5-3-6-14(9-13)18-11-17-19(22-12-23-20(17)25-18)24-15-7-4-8-16(10-15)28(26,27)21-2/h3-12,21H,1-2H3,(H2,22,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


J Med Chem 58: 7431-48 (2015)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50118465
PNG
(CHEMBL3613187)
Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]c(cc23)-c2ccc(C)cc2)c1
Show InChI InChI=1S/C20H19N5O2S/c1-13-6-8-14(9-7-13)18-11-17-19(22-12-23-20(17)25-18)24-15-4-3-5-16(10-15)28(26,27)21-2/h3-12,21H,1-2H3,(H2,22,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

AffyNet 
PubMed
n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


J Med Chem 58: 7431-48 (2015)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50118467
PNG
(CHEMBL3613189)
Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]c(cc23)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C19H17N5O3S/c1-20-28(26,27)15-4-2-3-13(9-15)23-18-16-10-17(24-19(16)22-11-21-18)12-5-7-14(25)8-6-12/h2-11,20,25H,1H3,(H2,21,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


J Med Chem 58: 7431-48 (2015)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50118383
PNG
(CHEMBL3613199)
Show SMILES CNS(=O)(=O)c1ccc(N2CCOCC2)c(Nc2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C18H22N6O3S/c1-12-10-20-17-16(12)18(22-11-21-17)23-14-9-13(28(25,26)19-2)3-4-15(14)24-5-7-27-8-6-24/h3-4,9-11,19H,5-8H2,1-2H3,(H2,20,21,22,23)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


J Med Chem 58: 7431-48 (2015)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50118386
PNG
(CHEMBL3613307)
Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]c(cc23)-c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C22H21F3N6O2S/c1-26-34(32,33)15-7-8-19(31(2)3)18(10-15)30-21-16-11-17(29-20(16)27-12-28-21)13-5-4-6-14(9-13)22(23,24)25/h4-12,26H,1-3H3,(H2,27,28,29,30)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human myc-tagged TNNI3K autophosphorylation overexpressed in HEKMSRII cells preincubated for 30 mins followed by pervanadate solution a...


J Med Chem 58: 7431-48 (2015)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50118388
PNG
(CHEMBL3613309)
Show SMILES CNS(=O)(=O)c1ccc(N2CCOCC2)c(Nc2ncnc3[nH]c(cc23)-c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C24H23F3N6O3S/c1-28-37(34,35)17-5-6-21(33-7-9-36-10-8-33)20(12-17)32-23-18-13-19(31-22(18)29-14-30-23)15-3-2-4-16(11-15)24(25,26)27/h2-6,11-14,28H,7-10H2,1H3,(H2,29,30,31,32)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


J Med Chem 58: 7431-48 (2015)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50178311
PNG
(CHEMBL3814010)
Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3ccn(C)c23)c1
Show InChI InChI=1S/C16H20N6O2S/c1-17-25(23,24)11-5-6-14(21(2)3)13(9-11)20-16-15-12(18-10-19-16)7-8-22(15)4/h5-10,17H,1-4H3,(H,18,19,20)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
PubMed
n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


Bioorg Med Chem Lett 26: 3355-3358 (2016)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50118468
PNG
(CHEMBL3613190)
Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]c(cc23)-c2ccncc2)c1
Show InChI InChI=1S/C18H16N6O2S/c1-19-27(25,26)14-4-2-3-13(9-14)23-17-15-10-16(12-5-7-20-8-6-12)24-18(15)22-11-21-17/h2-11,19H,1H3,(H2,21,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


J Med Chem 58: 7431-48 (2015)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50118472
PNG
(CHEMBL3613193)
Show SMILES CNS(=O)(=O)c1ccc(Cl)c(Nc2ncnc3[nH]ccc23)c1
Show InChI InChI=1S/C13H12ClN5O2S/c1-15-22(20,21)8-2-3-10(14)11(6-8)19-13-9-4-5-16-12(9)17-7-18-13/h2-7,15H,1H3,(H2,16,17,18,19)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


J Med Chem 58: 7431-48 (2015)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50178310
PNG
(CHEMBL3815093)
Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3cc(OC)c(OC)cc23)c1
Show InChI InChI=1S/C19H23N5O4S/c1-20-29(25,26)12-6-7-16(24(2)3)15(8-12)23-19-13-9-17(27-4)18(28-5)10-14(13)21-11-22-19/h6-11,20H,1-5H3,(H,21,22,23)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


Bioorg Med Chem Lett 26: 3355-3358 (2016)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50118428
PNG
(CHEMBL3613184)
Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]c(cc23)-c2ccccc2)c1
Show InChI InChI=1S/C19H17N5O2S/c1-20-27(25,26)15-9-5-8-14(10-15)23-18-16-11-17(13-6-3-2-4-7-13)24-19(16)22-12-21-18/h2-12,20H,1H3,(H2,21,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


J Med Chem 58: 7431-48 (2015)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50178339
PNG
(CHEMBL3814923)
Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3cc(OCCCN4CCOCC4)ccc23)c1
Show InChI InChI=1S/C24H32N6O4S/c1-25-35(31,32)19-6-8-23(29(2)3)22(16-19)28-24-20-7-5-18(15-21(20)26-17-27-24)34-12-4-9-30-10-13-33-14-11-30/h5-8,15-17,25H,4,9-14H2,1-3H3,(H,26,27,28)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human myc-tagged TNNI3K autophosphorylation overexpressed in HEKMSR2 cells incubated for 30 mins by time resolved fluorescence assay


Bioorg Med Chem Lett 26: 3355-3358 (2016)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50178313
PNG
(CHEMBL3814871)
Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3cc(OCCCOC)ccc23)c1
Show InChI InChI=1S/C21H27N5O4S/c1-22-31(27,28)16-7-9-20(26(2)3)19(13-16)25-21-17-8-6-15(30-11-5-10-29-4)12-18(17)23-14-24-21/h6-9,12-14,22H,5,10-11H2,1-4H3,(H,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human myc-tagged TNNI3K autophosphorylation overexpressed in HEKMSR2 cells incubated for 30 mins by time resolved fluorescence assay


Bioorg Med Chem Lett 26: 3355-3358 (2016)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50178312
PNG
(CHEMBL3815116)
Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3cc[nH]c23)c1
Show InChI InChI=1S/C15H18N6O2S/c1-16-24(22,23)10-4-5-13(21(2)3)12(8-10)20-15-14-11(6-7-17-14)18-9-19-15/h4-9,16-17H,1-3H3,(H,18,19,20)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


Bioorg Med Chem Lett 26: 3355-3358 (2016)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50178341
PNG
(CHEMBL3814635)
Show SMILES CNS(=O)(=O)c1ccc(OCC(F)(F)F)c(Nc2ncnc3cc(OC)c(OC)cc23)c1
Show InChI InChI=1S/C19H19F3N4O5S/c1-23-32(27,28)11-4-5-15(31-9-19(20,21)22)14(6-11)26-18-12-7-16(29-2)17(30-3)8-13(12)24-10-25-18/h4-8,10,23H,9H2,1-3H3,(H,24,25,26)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


Bioorg Med Chem Lett 26: 3355-3358 (2016)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50178308
PNG
(CHEMBL3814442)
Show SMILES CNS(=O)(=O)c1ccc(OCC(F)(F)F)c(Nc2ncnc3cc(OCCCOC)ccc23)c1
Show InChI InChI=1S/C21H23F3N4O5S/c1-25-34(29,30)15-5-7-19(33-12-21(22,23)24)18(11-15)28-20-16-6-4-14(32-9-3-8-31-2)10-17(16)26-13-27-20/h4-7,10-11,13,25H,3,8-9,12H2,1-2H3,(H,26,27,28)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


Bioorg Med Chem Lett 26: 3355-3358 (2016)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50118416
PNG
(CHEMBL3612665)
Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]cc(Cl)c23)c1
Show InChI InChI=1S/C13H12ClN5O2S/c1-15-22(20,21)9-4-2-3-8(5-9)19-13-11-10(14)6-16-12(11)17-7-18-13/h2-7,15H,1H3,(H2,16,17,18,19)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


Bioorg Med Chem Lett 26: 3355-3358 (2016)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50118417
PNG
(CHEMBL3612666)
Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]cc(Br)c23)c1
Show InChI InChI=1S/C13H12BrN5O2S/c1-15-22(20,21)9-4-2-3-8(5-9)19-13-11-10(14)6-16-12(11)17-7-18-13/h2-7,15H,1H3,(H2,16,17,18,19)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


Bioorg Med Chem Lett 26: 3355-3358 (2016)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50118424
PNG
(CHEMBL3613181)
Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]cc(-c4ccc(CN)cc4)c23)c1
Show InChI InChI=1S/C20H20N6O2S/c1-22-29(27,28)16-4-2-3-15(9-16)26-20-18-17(11-23-19(18)24-12-25-20)14-7-5-13(10-21)6-8-14/h2-9,11-12,22H,10,21H2,1H3,(H2,23,24,25,26)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


J Med Chem 58: 7431-48 (2015)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50178348
PNG
(CHEMBL3814121)
Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3ccc(N)cc23)c1
Show InChI InChI=1S/C17H20N6O2S/c1-19-26(24,25)12-5-7-16(23(2)3)15(9-12)22-17-13-8-11(18)4-6-14(13)20-10-21-17/h4-10,19H,18H2,1-3H3,(H,20,21,22)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


Bioorg Med Chem Lett 26: 3355-3358 (2016)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50118417
PNG
(CHEMBL3612666)
Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]cc(Br)c23)c1
Show InChI InChI=1S/C13H12BrN5O2S/c1-15-22(20,21)9-4-2-3-8(5-9)19-13-11-10(14)6-16-12(11)17-7-18-13/h2-7,15H,1H3,(H2,16,17,18,19)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


J Med Chem 58: 7431-48 (2015)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50118416
PNG
(CHEMBL3612665)
Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]cc(Cl)c23)c1
Show InChI InChI=1S/C13H12ClN5O2S/c1-15-22(20,21)9-4-2-3-8(5-9)19-13-11-10(14)6-16-12(11)17-7-18-13/h2-7,15H,1H3,(H2,16,17,18,19)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


J Med Chem 58: 7431-48 (2015)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50118418
PNG
(CHEMBL3612667)
Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]cc(-c4ccccc4)c23)c1
Show InChI InChI=1S/C19H17N5O2S/c1-20-27(25,26)15-9-5-8-14(10-15)24-19-17-16(13-6-3-2-4-7-13)11-21-18(17)22-12-23-19/h2-12,20H,1H3,(H2,21,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


Bioorg Med Chem Lett 26: 3355-3358 (2016)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50118411
PNG
(CHEMBL3612661)
Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C14H15N5O2S/c1-9-7-16-13-12(9)14(18-8-17-13)19-10-4-3-5-11(6-10)22(20,21)15-2/h3-8,15H,1-2H3,(H2,16,17,18,19)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


Bioorg Med Chem Lett 26: 3355-3358 (2016)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50178351
PNG
(CHEMBL3813872)
Show SMILES CNc1ccc2c(Nc3cc(ccc3N(C)C)S(=O)(=O)NC)ncnc2c1
Show InChI InChI=1S/C18H22N6O2S/c1-19-12-5-7-14-15(9-12)21-11-22-18(14)23-16-10-13(27(25,26)20-2)6-8-17(16)24(3)4/h5-11,19-20H,1-4H3,(H,21,22,23)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


Bioorg Med Chem Lett 26: 3355-3358 (2016)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50118380
PNG
(CHEMBL3613196)
Show SMILES CNS(=O)(=O)c1ccc(N2CCOCC2)c(Nc2ncnc3[nH]ccc23)c1
Show InChI InChI=1S/C17H20N6O3S/c1-18-27(24,25)12-2-3-15(23-6-8-26-9-7-23)14(10-12)22-17-13-4-5-19-16(13)20-11-21-17/h2-5,10-11,18H,6-9H2,1H3,(H2,19,20,21,22)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


J Med Chem 58: 7431-48 (2015)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50118419
PNG
(CHEMBL3613176)
Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]cc(-c4ccccc4Cl)c23)c1
Show InChI InChI=1S/C19H16ClN5O2S/c1-21-28(26,27)13-6-4-5-12(9-13)25-19-17-15(10-22-18(17)23-11-24-19)14-7-2-3-8-16(14)20/h2-11,21H,1H3,(H2,22,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


J Med Chem 58: 7431-48 (2015)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50118418
PNG
(CHEMBL3612667)
Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]cc(-c4ccccc4)c23)c1
Show InChI InChI=1S/C19H17N5O2S/c1-20-27(25,26)15-9-5-8-14(10-15)24-19-17-16(13-6-3-2-4-7-13)11-21-18(17)22-12-23-19/h2-12,20H,1H3,(H2,21,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


J Med Chem 58: 7431-48 (2015)

More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens)
BDBM50118411
PNG
(CHEMBL3612661)
Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C14H15N5O2S/c1-9-7-16-13-12(9)14(18-8-17-13)19-10-4-3-5-11(6-10)22(20,21)15-2/h3-8,15H,1-2H3,(H2,16,17,18,19)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...


J Med Chem 58: 7431-48 (2015)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 242 total )  |  Next  |  Last  >>
Jump to: