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Compile Data Set for Download or QSAR

Found 715 hits with Last Name = 'van eis' and Initial = 'm'   
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
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50235282
PNG
(CHEMBL4077967)
Show SMILES CN(C)Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:13|
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0.5n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50235282
PNG
(CHEMBL4077967)
Show SMILES CN(C)Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:13|
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1n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324297
PNG
(4-(1-Piperazin-1-yl[2,6]naphthyridin-3-yl)pyridin-...)
Show SMILES C1CN(CCN1)c1nc(cc2cnccc12)-c1ccnc(NC2CCOCC2)c1
Show InChI InChI=1S/C22H26N6O/c1-6-25-21(26-18-3-11-29-12-4-18)14-16(1)20-13-17-15-24-5-2-19(17)22(27-20)28-9-7-23-8-10-28/h1-2,5-6,13-15,18,23H,3-4,7-12H2,(H,25,26)
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n/an/a 0.400n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 by TR-FRET assay


J Med Chem 53: 5400-21 (2010)


Article DOI: 10.1021/jm100075z
BindingDB Entry DOI: 10.7270/Q2T153T9
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50235288
PNG
(CHEMBL4072879)
Show SMILES CNCc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:12|
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n/an/a 0.5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50235283
PNG
(CHEMBL4102228)
Show SMILES CN(C)Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c2c1 |t:13|
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n/an/a 0.5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM211959
PNG
(US9290481, 3.1)
Show SMILES Cn1ccc2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cnc3C(O)=O)cccc12 |r|
Show InChI InChI=1/C20H24N6O2/c1-26-10-9-12-14(7-4-8-16(12)26)24-19-18(20(27)28)22-11-17(25-19)23-15-6-3-2-5-13(15)21/h4,7-11,13,15H,2-3,5-6,21H2,1H3,(H,27,28)(H2,23,24,25)/t13-,15+/s2
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n/an/a 0.5n/an/an/an/a7.530



NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


US Patent US9290481 (2016)


BindingDB Entry DOI: 10.7270/Q2G15ZPR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324315
PNG
(CHEMBL1214998 | Cyclohexyl-[4-(1-piperazin-1-yl[2,...)
Show SMILES C1CCC(CC1)Nc1cc(ccn1)-c1cc2cnccc2c(n1)N1CCNCC1
Show InChI InChI=1S/C23H28N6/c1-2-4-19(5-3-1)27-22-15-17(6-9-26-22)21-14-18-16-25-8-7-20(18)23(28-21)29-12-10-24-11-13-29/h6-9,14-16,19,24H,1-5,10-13H2,(H,26,27)
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n/an/a 0.600n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM222932
PNG
(US9315500, 2.2)
Show SMILES Cn1ccc2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4cn[nH]c(=O)c34)cccc12
Show InChI InChI=1S/C22H25N7O/c1-29-10-9-14-16(7-4-8-18(14)29)26-21-20-13(12-24-28-22(20)30)11-19(27-21)25-17-6-3-2-5-15(17)23/h4,7-12,15,17H,2-3,5-6,23H2,1H3,(H,28,30)(H2,25,26,27)/t15-,17+/m0/s1
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n/an/a 0.600n/an/an/an/a7.530



NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


US Patent US9315500 (2016)


BindingDB Entry DOI: 10.7270/Q2V986WN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324315
PNG
(CHEMBL1214998 | Cyclohexyl-[4-(1-piperazin-1-yl[2,...)
Show SMILES C1CCC(CC1)Nc1cc(ccn1)-c1cc2cnccc2c(n1)N1CCNCC1
Show InChI InChI=1S/C23H28N6/c1-2-4-19(5-3-1)27-22-15-17(6-9-26-22)21-14-18-16-25-8-7-20(18)23(28-21)29-12-10-24-11-13-29/h6-9,14-16,19,24H,1-5,10-13H2,(H,26,27)
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n/an/a 0.600n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 by TR-FRET assay


J Med Chem 53: 5400-21 (2010)


Article DOI: 10.1021/jm100075z
BindingDB Entry DOI: 10.7270/Q2T153T9
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50235283
PNG
(CHEMBL4102228)
Show SMILES CN(C)Cc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c2c1 |t:13|
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n/an/a 0.700n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM211951
PNG
(US9290481, 1.2)
Show SMILES Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)nnc3C(N)=O)cc(F)cc12 |r|
Show InChI InChI=1/C19H23FN8O/c1-9-8-23-15-11(9)6-10(20)7-14(15)24-18-16(17(22)29)27-28-19(26-18)25-13-5-3-2-4-12(13)21/h6-8,12-13,23H,2-5,21H2,1H3,(H2,22,29)(H2,24,25,26,28)/t12-,13+/s2
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n/an/a 0.800n/an/an/an/a7.530



NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


US Patent US9290481 (2016)


BindingDB Entry DOI: 10.7270/Q2G15ZPR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013165
PNG
(CHEMBL3262616)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3[nH]ccc23)n1 |r|
Show InChI InChI=1S/C21H23N7O/c22-13-4-1-2-5-16(13)26-18-10-17-19(21(29)25-11-24-17)20(28-18)27-15-7-3-6-14-12(15)8-9-23-14/h3,6-11,13,16,23H,1-2,4-5,22H2,(H,24,25,29)(H2,26,27,28)/t13-,16+/m0/s1
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 4 uM peptide assessed as product formation after 60 mins incubation by microfluidic mobility shift assay


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM211960
PNG
(US9290481, 4.2)
Show SMILES Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cnc3C(N)=O)cccc12 |r|
Show InChI InChI=1/C20H25N7O/c1-11-9-23-17-12(11)5-4-8-15(17)26-20-18(19(22)28)24-10-16(27-20)25-14-7-3-2-6-13(14)21/h4-5,8-10,13-14,23H,2-3,6-7,21H2,1H3,(H2,22,28)(H2,25,26,27)/t13-,14+/s2
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n/an/a 1n/an/an/an/a7.530



NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


US Patent US9290481 (2016)


BindingDB Entry DOI: 10.7270/Q2G15ZPR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013170
PNG
(CHEMBL3262622)
Show SMILES Cn1cc2c(Nc3nc(N[C@@H]4CCOC[C@@H]4N)cc4cc[nH]c(=O)c34)cccc2n1 |r|
Show InChI InChI=1S/C21H23N7O2/c1-28-10-13-15(3-2-4-16(13)27-28)25-20-19-12(5-7-23-21(19)29)9-18(26-20)24-17-6-8-30-11-14(17)22/h2-5,7,9-10,14,17H,6,8,11,22H2,1H3,(H,23,29)(H2,24,25,26)/t14-,17+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 4 uM peptide assessed as product formation after 60 mins incubation by microfluidic mobility shift assay


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Polycystin-2


(Homo sapiens (Human))
BDBM50324346
PNG
(CHEMBL1215151 | Cyclohexyl-[6-piperazin-1-yl-4-(1H...)
Show SMILES C1CCC(CC1)Nc1cc(ccn1)-c1cc(cc(n1)N1CCNCC1)-c1cn[nH]c1
Show InChI InChI=1S/C23H29N7/c1-2-4-20(5-3-1)28-22-13-17(6-7-25-22)21-12-18(19-15-26-27-16-19)14-23(29-21)30-10-8-24-9-11-30/h6-7,12-16,20,24H,1-5,8-11H2,(H,25,28)(H,26,27)
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD2 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM33971
PNG
(AEB071 | Sotrastaurin)
Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2n1 |t:11|
Show InChI InChI=1S/C25H22N6O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18/h2-9,14,26H,10-13H2,1H3,(H,29,32,33)
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324322
PNG
(4-(2-cyclohexylaminopyridin-4-yl)-6-(piperazin-1-y...)
Show SMILES O=C1NCc2c1cc(nc2-c1ccnc(NC2CCCCC2)c1)N1CCNCC1
Show InChI InChI=1S/C22H28N6O/c29-22-17-13-20(28-10-8-23-9-11-28)27-21(18(17)14-25-22)15-6-7-24-19(12-15)26-16-4-2-1-3-5-16/h6-7,12-13,16,23H,1-5,8-11,14H2,(H,24,26)(H,25,29)
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50076187
PNG
(CHEMBL3416027 | US9290481, 1.4)
Show SMILES N[C@H]1CCCC[C@H]1Nc1nnc(C(N)=O)c(Nc2cccc3[nH]ccc23)n1 |r|
Show InChI InChI=1/C18H22N8O/c19-11-4-1-2-5-14(11)23-18-24-17(15(16(20)27)25-26-18)22-13-7-3-6-12-10(13)8-9-21-12/h3,6-9,11,14,21H,1-2,4-5,19H2,(H2,20,27)(H2,22,23,24,26)/t11-,14+/s2
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 5-Fluo-Ahx-GAPDYENLQELNKK-Amide as substrate after 60 mins by microfluidic mobility shift assay


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50076190
PNG
(CHEMBL3416023)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1 |r|
Show InChI InChI=1/C19H23N9O/c20-14-6-1-2-7-15(14)26-16-11-22-17(18(21)29)19(27-16)25-12-4-3-5-13(10-12)28-23-8-9-24-28/h3-5,8-11,14-15H,1-2,6-7,20H2,(H2,21,29)(H2,25,26,27)/t14-,15+/s2
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 5-Fluo-Ahx-GAPDYENLQELNKK-Amide as substrate after 60 mins by microfluidic mobility shift assay


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
Polycystin-2


(Homo sapiens (Human))
BDBM50324324
PNG
(2'-Phenylamino-6-piperazin-1-yl[2,4']bipyridinyl-4...)
Show SMILES NC(=O)c1cc(nc(c1)-c1ccnc(Nc2ccccc2)c1)N1CCNCC1
Show InChI InChI=1S/C21H22N6O/c22-21(28)16-12-18(26-20(14-16)27-10-8-23-9-11-27)15-6-7-24-19(13-15)25-17-4-2-1-3-5-17/h1-7,12-14,23H,8-11H2,(H2,22,28)(H,24,25)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD2 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324306
PNG
(1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyri...)
Show SMILES O=C(NCCN1CCCC1)C1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1
Show InChI InChI=1S/C31H41N7O/c39-31(34-14-19-37-15-4-5-16-37)23-10-17-38(18-11-23)30-27-9-12-32-22-25(27)20-28(36-30)24-8-13-33-29(21-24)35-26-6-2-1-3-7-26/h8-9,12-13,20-23,26H,1-7,10-11,14-19H2,(H,33,35)(H,34,39)
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 by TR-FRET assay


J Med Chem 53: 5400-21 (2010)


Article DOI: 10.1021/jm100075z
BindingDB Entry DOI: 10.7270/Q2T153T9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324305
PNG
(CHEMBL1214711 | N-(2-(pyrrolidin-1-yl)ethyl)-1-(3-...)
Show SMILES O=C(NC1CCNCC1)C1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1
Show InChI InChI=1S/C30H39N7O/c38-30(35-25-7-12-31-13-8-25)21-10-16-37(17-11-21)29-26-9-14-32-20-23(26)18-27(36-29)22-6-15-33-28(19-22)34-24-4-2-1-3-5-24/h6,9,14-15,18-21,24-25,31H,1-5,7-8,10-13,16-17H2,(H,33,34)(H,35,38)
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 by TR-FRET assay


J Med Chem 53: 5400-21 (2010)


Article DOI: 10.1021/jm100075z
BindingDB Entry DOI: 10.7270/Q2T153T9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324296
PNG
(1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyri...)
Show SMILES NCC1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1
Show InChI InChI=1S/C25H32N6/c26-16-18-8-12-31(13-9-18)25-22-7-10-27-17-20(22)14-23(30-25)19-6-11-28-24(15-19)29-21-4-2-1-3-5-21/h6-7,10-11,14-15,17-18,21H,1-5,8-9,12-13,16,26H2,(H,28,29)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 by TR-FRET assay


J Med Chem 53: 5400-21 (2010)


Article DOI: 10.1021/jm100075z
BindingDB Entry DOI: 10.7270/Q2T153T9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324298
PNG
(CHEMBL1215712 | {4-[1-(4-Isobutylpiperazin-1-yl)[2...)
Show SMILES CC(C)CN1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCOCC2)c1
Show InChI InChI=1S/C26H34N6O/c1-19(2)18-31-9-11-32(12-10-31)26-23-4-7-27-17-21(23)15-24(30-26)20-3-8-28-25(16-20)29-22-5-13-33-14-6-22/h3-4,7-8,15-17,19,22H,5-6,9-14,18H2,1-2H3,(H,28,29)
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 by TR-FRET assay


J Med Chem 53: 5400-21 (2010)


Article DOI: 10.1021/jm100075z
BindingDB Entry DOI: 10.7270/Q2T153T9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324314
PNG
(1-{3-[2-(Tetrahydropyran-4-ylamino)pyridin-4-yl][2...)
Show SMILES O=C(NCCN1CCCC1)C1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCOCC2)c1
Show InChI InChI=1S/C30H39N7O2/c38-30(33-11-16-36-12-1-2-13-36)22-5-14-37(15-6-22)29-26-4-9-31-21-24(26)19-27(35-29)23-3-10-32-28(20-23)34-25-7-17-39-18-8-25/h3-4,9-10,19-22,25H,1-2,5-8,11-18H2,(H,32,34)(H,33,38)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 by TR-FRET assay


J Med Chem 53: 5400-21 (2010)


Article DOI: 10.1021/jm100075z
BindingDB Entry DOI: 10.7270/Q2T153T9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324325
PNG
(6-Piperazin-1-yl-2'-(tetrahydropyran-4-ylamino)[2,...)
Show SMILES NC(=O)c1cc(nc(c1)-c1ccnc(NC2CCOCC2)c1)N1CCNCC1
Show InChI InChI=1S/C20H26N6O2/c21-20(27)15-11-17(25-19(13-15)26-7-5-22-6-8-26)14-1-4-23-18(12-14)24-16-2-9-28-10-3-16/h1,4,11-13,16,22H,2-3,5-10H2,(H2,21,27)(H,23,24)
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324326
PNG
(4'-tert-Butylcarbamoyl-2''-isopropylamino-3,4,5,6-...)
Show SMILES CC(C)Nc1cc(ccn1)-c1cc(cc(n1)N1CCNCC1)C(N)=O
Show InChI InChI=1S/C18H24N6O/c1-12(2)22-16-10-13(3-4-21-16)15-9-14(18(19)25)11-17(23-15)24-7-5-20-6-8-24/h3-4,9-12,20H,5-8H2,1-2H3,(H2,19,25)(H,21,22)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324324
PNG
(2'-Phenylamino-6-piperazin-1-yl[2,4']bipyridinyl-4...)
Show SMILES NC(=O)c1cc(nc(c1)-c1ccnc(Nc2ccccc2)c1)N1CCNCC1
Show InChI InChI=1S/C21H22N6O/c22-21(28)16-12-18(26-20(14-16)27-10-8-23-9-11-27)15-6-7-24-19(13-15)25-17-4-2-1-3-5-17/h1-7,12-14,23H,8-11H2,(H2,22,28)(H,24,25)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324327
PNG
(2'-(1-Methyl-1H-pyrazol-3-ylamino)-6-piperazin-1-y...)
Show SMILES Cn1ccc(Nc2cc(ccn2)-c2cc(cc(n2)N2CCNCC2)C(N)=O)n1
Show InChI InChI=1S/C19H22N8O/c1-26-7-3-16(25-26)24-17-11-13(2-4-22-17)15-10-14(19(20)28)12-18(23-15)27-8-5-21-6-9-27/h2-4,7,10-12,21H,5-6,8-9H2,1H3,(H2,20,28)(H,22,24,25)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324328
PNG
(2'-(2-Chlorophenylamino)-6-piperazin-1-yl[2,4']bip...)
Show SMILES NC(=O)c1cc(nc(c1)-c1ccnc(Nc2ccccc2Cl)c1)N1CCNCC1
Show InChI InChI=1S/C21H21ClN6O/c22-16-3-1-2-4-17(16)26-19-12-14(5-6-25-19)18-11-15(21(23)29)13-20(27-18)28-9-7-24-8-10-28/h1-6,11-13,24H,7-10H2,(H2,23,29)(H,25,26)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324323
PNG
(2'-Cyclohexylamino-6-piperazin-1-yl[2,4']bipyridin...)
Show SMILES NC(=O)c1cc(nc(c1)-c1ccnc(NC2CCCCC2)c1)N1CCNCC1
Show InChI InChI=1S/C21H28N6O/c22-21(28)16-12-18(26-20(14-16)27-10-8-23-9-11-27)15-6-7-24-19(13-15)25-17-4-2-1-3-5-17/h6-7,12-14,17,23H,1-5,8-11H2,(H2,22,28)(H,24,25)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324348
PNG
(6-(piperazin-1-yl)-4-(4H-pyrazol-4-yl)-N-(tetrahyd...)
Show SMILES C1CN(CCN1)c1cc(cc(n1)-c1ccnc(NC2CCOCC2)c1)-c1cn[nH]c1
Show InChI InChI=1S/C22H27N7O/c1-4-24-21(27-19-2-9-30-10-3-19)12-16(1)20-11-17(18-14-25-26-15-18)13-22(28-20)29-7-5-23-6-8-29/h1,4,11-15,19,23H,2-3,5-10H2,(H,24,27)(H,25,26)
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n/an/a<1n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324347
PNG
(CHEMBL1215153 | Isopropyl-[6-piperazin-1-yl-4-(1H-...)
Show SMILES CC(C)Nc1cc(ccn1)-c1cc(cc(n1)N1CCNCC1)-c1cn[nH]c1
Show InChI InChI=1S/C20H25N7/c1-14(2)25-19-10-15(3-4-22-19)18-9-16(17-12-23-24-13-17)11-20(26-18)27-7-5-21-6-8-27/h3-4,9-14,21H,5-8H2,1-2H3,(H,22,25)(H,23,24)
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n/an/a<1n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324346
PNG
(CHEMBL1215151 | Cyclohexyl-[6-piperazin-1-yl-4-(1H...)
Show SMILES C1CCC(CC1)Nc1cc(ccn1)-c1cc(cc(n1)N1CCNCC1)-c1cn[nH]c1
Show InChI InChI=1S/C23H29N7/c1-2-4-20(5-3-1)28-22-13-17(6-7-25-22)21-12-18(19-15-26-27-16-19)14-23(29-21)30-10-8-24-9-11-30/h6-7,12-16,20,24H,1-5,8-11H2,(H,25,28)(H,26,27)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50076187
PNG
(CHEMBL3416027 | US9290481, 1.4)
Show SMILES N[C@H]1CCCC[C@H]1Nc1nnc(C(N)=O)c(Nc2cccc3[nH]ccc23)n1 |r|
Show InChI InChI=1/C18H22N8O/c19-11-4-1-2-5-14(11)23-18-24-17(15(16(20)27)25-26-18)22-13-7-3-6-12-10(13)8-9-21-12/h3,6-9,11,14,21H,1-2,4-5,19H2,(H2,20,27)(H2,22,23,24,26)/t11-,14+/s2
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n/an/a 1n/an/an/an/a7.530



NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


US Patent US9290481 (2016)


BindingDB Entry DOI: 10.7270/Q2G15ZPR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013169
PNG
(CHEMBL3262620)
Show SMILES Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCOC[C@@H]4N)cc4nc[nH]c(=O)c34)cccc12 |r|
Show InChI InChI=1S/C21H23N7O2/c1-11-8-23-19-12(11)3-2-4-15(19)27-20-18-16(24-10-25-21(18)29)7-17(28-20)26-14-5-6-30-9-13(14)22/h2-4,7-8,10,13-14,23H,5-6,9,22H2,1H3,(H,24,25,29)(H2,26,27,28)/t13-,14+/m0/s1
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 4 uM peptide assessed as product formation after 60 mins incubation by microfluidic mobility shift assay


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM222933
PNG
(US9315500, 2.3)
Show SMILES Cn1cc2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4cn[nH]c(=O)c34)cccc2n1
Show InChI InChI=1S/C21H24N8O/c1-29-11-13-15(7-4-8-16(13)28-29)25-20-19-12(10-23-27-21(19)30)9-18(26-20)24-17-6-3-2-5-14(17)22/h4,7-11,14,17H,2-3,5-6,22H2,1H3,(H,27,30)(H2,24,25,26)/t14-,17+/m0/s1
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n/an/a 1.10n/an/an/an/a7.530



NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


US Patent US9315500 (2016)


BindingDB Entry DOI: 10.7270/Q2V986WN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM222934
PNG
(US9315500, 2.4)
Show SMILES Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4cn[nH]c(=O)c34)cc(F)cc12
Show InChI InChI=1S/C22H24FN7O/c1-11-9-25-20-14(11)7-13(23)8-17(20)28-21-19-12(10-26-30-22(19)31)6-18(29-21)27-16-5-3-2-4-15(16)24/h6-10,15-16,25H,2-5,24H2,1H3,(H,30,31)(H2,27,28,29)/t15-,16+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


US Patent US9315500 (2016)


BindingDB Entry DOI: 10.7270/Q2V986WN
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM33971
PNG
(AEB071 | Sotrastaurin)
Show SMILES CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2n1 |t:11|
Show InChI InChI=1S/C25H22N6O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18/h2-9,14,26H,10-13H2,1H3,(H,29,32,33)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50235288
PNG
(CHEMBL4072879)
Show SMILES CNCc1ccc2ccc(Cl)c(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:12|
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n/an/a 1.40n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM222935
PNG
(US9315500, 2.5)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2cn[nH]c(=O)c2c(Nc2ccc3ncccc3c2)n1
Show InChI InChI=1S/C22H23N7O/c23-16-5-1-2-6-18(16)27-19-11-14-12-25-29-22(30)20(14)21(28-19)26-15-7-8-17-13(10-15)4-3-9-24-17/h3-4,7-12,16,18H,1-2,5-6,23H2,(H,29,30)(H2,26,27,28)/t16-,18+/m0/s1
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n/an/a 1.60n/an/an/an/a7.530



NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


US Patent US9315500 (2016)


BindingDB Entry DOI: 10.7270/Q2V986WN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM222931
PNG
(US9315500, 2.1)
Show SMILES Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4cn[nH]c(=O)c34)cccc12
Show InChI InChI=1S/C22H25N7O/c1-12-10-24-20-14(12)5-4-8-17(20)27-21-19-13(11-25-29-22(19)30)9-18(28-21)26-16-7-3-2-6-15(16)23/h4-5,8-11,15-16,24H,2-3,6-7,23H2,1H3,(H,29,30)(H2,26,27,28)/t15-,16+/m0/s1
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n/an/a 1.60n/an/an/an/a7.530



NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


US Patent US9315500 (2016)


BindingDB Entry DOI: 10.7270/Q2V986WN
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50235292
PNG
(CHEMBL4085837)
Show SMILES CN(C)Cc1ccc2c(C3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c(Cl)ccc2c1 |t:9|
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n/an/a 1.80n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 27: 781-786 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.038
BindingDB Entry DOI: 10.7270/Q2930WF1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM222952
PNG
(US9315500, 3.2)
Show SMILES N[C@H]1COCC[C@H]1Nc1cc2cn[nH]c(=O)c2c(Nc2cccc3sccc23)n1
Show InChI InChI=1S/C20H20N6O2S/c21-13-10-28-6-4-15(13)23-17-8-11-9-22-26-20(27)18(11)19(25-17)24-14-2-1-3-16-12(14)5-7-29-16/h1-3,5,7-9,13,15H,4,6,10,21H2,(H,26,27)(H2,23,24,25)/t13-,15+/m0/s1
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n/an/a 1.80n/an/an/an/a7.530



NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


US Patent US9315500 (2016)


BindingDB Entry DOI: 10.7270/Q2V986WN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013162
PNG
(CHEMBL3262357)
Show SMILES Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4nc[nH]c(=O)c34)cccc12 |r|
Show InChI InChI=1S/C22H25N7O/c1-12-10-24-20-13(12)5-4-8-16(20)28-21-19-17(25-11-26-22(19)30)9-18(29-21)27-15-7-3-2-6-14(15)23/h4-5,8-11,14-15,24H,2-3,6-7,23H2,1H3,(H,25,26,30)(H2,27,28,29)/t14-,15+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 4 uM peptide assessed as product formation after 60 mins incubation by microfluidic mobility shift assay


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM222953
PNG
(US9315500, 3.3)
Show SMILES Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCOC[C@@H]4N)cc4cn[nH]c(=O)c34)cc(F)cc12
Show InChI InChI=1S/C21H22FN7O2/c1-10-7-24-19-13(10)5-12(22)6-16(19)27-20-18-11(8-25-29-21(18)30)4-17(28-20)26-15-2-3-31-9-14(15)23/h4-8,14-15,24H,2-3,9,23H2,1H3,(H,29,30)(H2,26,27,28)/t14-,15+/m0/s1
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n/an/a 2n/an/an/an/a7.530



NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


US Patent US9315500 (2016)


BindingDB Entry DOI: 10.7270/Q2V986WN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM222936
PNG
(US9315500, 2.6)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2cn[nH]c(=O)c2c(Nc2cccc3occc23)n1
Show InChI InChI=1S/C21H22N6O2/c22-14-4-1-2-5-16(14)24-18-10-12-11-23-27-21(28)19(12)20(26-18)25-15-6-3-7-17-13(15)8-9-29-17/h3,6-11,14,16H,1-2,4-5,22H2,(H,27,28)(H2,24,25,26)/t14-,16+/m0/s1
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n/an/a 2n/an/an/an/a7.530



NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


US Patent US9315500 (2016)


BindingDB Entry DOI: 10.7270/Q2V986WN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM222955
PNG
(US9315500, 1.1)
Show SMILES Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)c(F)c4cn[nH]c(=O)c34)cc(F)cc12
Show InChI InChI=1S/C22H23F2N7O/c1-10-8-26-19-12(10)6-11(23)7-16(19)29-20-17-13(9-27-31-22(17)32)18(24)21(30-20)28-15-5-3-2-4-14(15)25/h6-9,14-15,26H,2-5,25H2,1H3,(H,31,32)(H2,28,29,30)/t14-,15+/m0/s1
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n/an/a 2n/an/an/an/a7.530



NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


US Patent US9315500 (2016)


BindingDB Entry DOI: 10.7270/Q2V986WN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324335
PNG
(2'-Cyclohexylamino-6-((R)-pyrrolidin-3-ylamino)[2,...)
Show SMILES NC(=O)c1cc(N[C@@H]2CCNC2)nc(c1)-c1ccnc(NC2CCCCC2)c1 |r|
Show InChI InChI=1S/C21H28N6O/c22-21(28)15-10-18(27-20(12-15)26-17-7-8-23-13-17)14-6-9-24-19(11-14)25-16-4-2-1-3-5-16/h6,9-12,16-17,23H,1-5,7-8,13H2,(H2,22,28)(H,24,25)(H,26,27)/t17-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324312
PNG
(1-{3-[2-(Tetrahydropyran-4-ylamino)pyridin-4-yl][2...)
Show SMILES CC(C)CNC(=O)C1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCOCC2)c1
Show InChI InChI=1S/C28H36N6O2/c1-19(2)17-31-28(35)20-5-11-34(12-6-20)27-24-4-9-29-18-22(24)15-25(33-27)21-3-10-30-26(16-21)32-23-7-13-36-14-8-23/h3-4,9-10,15-16,18-20,23H,5-8,11-14,17H2,1-2H3,(H,30,32)(H,31,35)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 by TR-FRET assay


J Med Chem 53: 5400-21 (2010)


Article DOI: 10.1021/jm100075z
BindingDB Entry DOI: 10.7270/Q2T153T9
More data for this
Ligand-Target Pair
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