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Compile Data Set for Download or QSAR

Found 887 hits with Last Name = 'von matt' and Initial = 'a'   
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
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531223
PNG
((R)-2-(4-Methyl-6-((1-methylpiperidin-3-yl)amino)p...)
Show SMILES CN1CCC[C@H](C1)Nc1cc(C)c(nn1)-c1ccc(cc1O)C(F)(F)F |r|
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n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
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
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531296
PNG
(US11208399, Example 53)
Show SMILES CN1CCC[C@H](C1)Nc1cc(c(nn1)-c1ccc(cc1O)C(F)(F)F)C(F)(F)F |r|
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n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
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
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531253
PNG
(US11208399, Example 12)
Show SMILES CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F |r|
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n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531331
PNG
(US11208399, Example 82)
Show SMILES CN1CCC[C@H](C1)Nc1cc(C)c(nn1)-c1ccc(OC(F)(F)F)cc1O |r|
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n/an/a 0.700n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531332
PNG
(US11208399, Example 83a)
Show SMILES Cc1cc(OC(F)(F)F)cc(O)c1-c1ccc(N[C@@H]2CCCN3CCC[C@H]23)nn1 |r|
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n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531288
PNG
(US11208399, Example 47)
Show SMILES CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(C)cc1O |r|
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n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531289
PNG
(US11208399, Example 48)
Show SMILES CN1CCC[C@H](C1)Nc1nnc(c(C)c1C)-c1ccc(cc1O)C(F)(F)F |r|
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n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531220
PNG
((R)-2-(6-((1-Ethylpiperidin-3-yl)amino)pyridazin-3...)
Show SMILES CCN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F |r|
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n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531319
PNG
(US11208399, Example 71)
Show SMILES CN1CCC[C@H](C1)Nc1cc(C)c(nn1)-c1ccc(Cl)cc1O |r|
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n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531230
PNG
(US11208399, Example 6)
Show SMILES Cc1cc(cc(O)c1-c1ccc(N[C@@H]2CCCN(CCO)C2)nn1)C(F)(F)F |r|
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n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
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))
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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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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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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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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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
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531254
PNG
(US11208399, Example 13)
Show SMILES Cc1cc(nnc1N[C@@H]1CCCN(CCO)C1)-c1c(C)cc(cc1O)C(F)(F)F |r|
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n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531337
PNG
(3-Methyl-2-(6-(((1R,2R,5R)-8-methyl-8-azabicyclo[3...)
Show SMILES CN1C2CCC1C(CC2)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F |TLB:0:1:6.7.8:3.4,THB:9:6:1:3.4|
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n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531252
PNG
(US11208399, Example 11)
Show SMILES CCN1CCC[C@H](C1)Nc1nnc(cc1C#N)-c1c(C)cc(cc1O)C(F)(F)F |r|
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TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531291
PNG
(US11208399, Example 49)
Show SMILES CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(O)cc(cc1Cl)C(F)(F)F |r|
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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531354
PNG
(2-(6-(((3S, 5S)-5-Fluoro-1-methylpiperidin-3-yl)am...)
Show SMILES CN1C[C@@H](F)C[C@@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F
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TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531339
PNG
(2-(6-(((1S,2S,5S)-8-(2-Hydroxyethyl)-8-azabicyclo[...)
Show SMILES Cc1cc(cc(O)c1-c1ccc(NC2CCC3CCC2N3CCO)nn1)C(F)(F)F |TLB:12:13:20:17.18,THB:21:20:13.14.15:17.18|
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n/an/a 1.80n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531232
PNG
(US11208399, Example 7)
Show SMILES CC(C)N1CCCC(C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F
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n/an/a 1.90n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531364
PNG
((R)-2-(6-((1-Ethylpiperidin-3-yl)amino)-5-methylpy...)
Show SMILES CCN1CCC[C@H](C1)Nc1nnc(cc1C)-c1c(C)cc(cc1O)C(F)(F)F |r|
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n/an/a 1.90n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50320214
PNG
(3-(7-amino-3-(4-(4-methylpiperazin-1-yl)phenyl)pyr...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnn2c(N)c(cnc12)-c1cccc(O)c1
Show InChI InChI=1S/C23H24N6O/c1-27-9-11-28(12-10-27)18-7-5-16(6-8-18)21-15-26-29-22(24)20(14-25-23(21)29)17-3-2-4-19(30)13-17/h2-8,13-15,30H,9-12,24H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of SRC


Bioorg Med Chem Lett 20: 3628-31 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.112
BindingDB Entry DOI: 10.7270/Q2XP754D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324313
PNG
(1-{3-[2-(Tetrahydropyran-4-ylamino)pyridin-4-yl][2...)
Show SMILES OCCNC(=O)C1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCOCC2)c1
Show InChI InChI=1S/C26H32N6O3/c33-12-9-29-26(34)18-3-10-32(11-4-18)25-22-2-7-27-17-20(22)15-23(31-25)19-1-8-28-24(16-19)30-21-5-13-35-14-6-21/h1-2,7-8,15-18,21,33H,3-6,9-14H2,(H,28,30)(H,29,34)
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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: 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))
BDBM50324294
PNG
(CHEMBL1215643 | Cyclohexyl-{4-[1-(4-cyclopropylmet...)
Show SMILES C(C1CC1)N1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1
Show InChI InChI=1S/C27H34N6/c1-2-4-23(5-3-1)30-26-17-21(8-11-29-26)25-16-22-18-28-10-9-24(22)27(31-25)33-14-12-32(13-15-33)19-20-6-7-20/h8-11,16-18,20,23H,1-7,12-15,19H2,(H,29,30)
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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: 5400-21 (2010)


Article DOI: 10.1021/jm100075z
BindingDB Entry DOI: 10.7270/Q2T153T9
More data for this
Ligand-Target Pair
Protein kinase C eta type


(Homo sapiens (Human))
BDBM50391897
PNG
(CHEMBL2147537)
Show SMILES C[C@H](N)CNc1nc(cc2cnccc12)-c1ccncc1 |r|
Show InChI InChI=1S/C16H17N5/c1-11(17)9-20-16-14-4-7-19-10-13(14)8-15(21-16)12-2-5-18-6-3-12/h2-8,10-11H,9,17H2,1H3,(H,20,21)/t11-/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 recombinant human PKCeta assessed as [33P]-ATP incorporation into tridecapeptide substrate after 60 mins by scintillation proximity ass...


Bioorg Med Chem Lett 21: 7367-72 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.025
BindingDB Entry DOI: 10.7270/Q22J6CZ4
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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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: 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))
BDBM50324309
PNG
(1-{3-[2-(Tetrahydropyran-4-ylamino)pyridin-4-yl][2...)
Show SMILES NC(=O)C1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCOCC2)c1
Show InChI InChI=1S/C24H28N6O2/c25-23(31)16-3-9-30(10-4-16)24-20-2-7-26-15-18(20)13-21(29-24)17-1-8-27-22(14-17)28-19-5-11-32-12-6-19/h1-2,7-8,13-16,19H,3-6,9-12H2,(H2,25,31)(H,27,28)
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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: 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))
BDBM50324292
PNG
(CHEMBL1215641 | Cyclohexyl-{4-[1-(4-methylpiperazi...)
Show SMILES CN1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1
Show InChI InChI=1S/C24H30N6/c1-29-11-13-30(14-12-29)24-21-8-9-25-17-19(21)15-22(28-24)18-7-10-26-23(16-18)27-20-5-3-2-4-6-20/h7-10,15-17,20H,2-6,11-14H2,1H3,(H,26,27)
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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: 5400-21 (2010)


Article DOI: 10.1021/jm100075z
BindingDB Entry DOI: 10.7270/Q2T153T9
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531292
PNG
(US11208399, Example 50)
Show SMILES CN1CCC[C@H](C1)Nc1cc(c(nn1)-c1ccc(C)cc1O)C(F)(F)F |r|
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n/an/a 2.30n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531323
PNG
(US11208399, Example 74)
Show SMILES Cc1cc(cc(O)c1-c1ccc(N[C@@H]2CCCNC2)nn1)C(F)(F)F |r|
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n/an/a 2.60n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531293
PNG
(US11208399, Example 51)
Show SMILES CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(O)cc(Cl)cc1C(F)(F)F |r|
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n/an/a 2.60n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531282
PNG
(US11208399, Example 41)
Show SMILES Cc1cc(cc(O)c1-c1ccc(NC2CCC(NC2)C(O)=O)nn1)C(F)(F)F
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324291
PNG
(CHEMBL1215640 | Cyclohexyl-{4-[1-((cis-3,5-dimethy...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1 |r|
Show InChI InChI=1S/C25H32N6/c1-17-15-31(16-18(2)28-17)25-22-9-10-26-14-20(22)12-23(30-25)19-8-11-27-24(13-19)29-21-6-4-3-5-7-21/h8-14,17-18,21,28H,3-7,15-16H2,1-2H3,(H,27,29)/t17-,18+
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n/an/a 3n/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))
BDBM50324304
PNG
(1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyri...)
Show SMILES CNC(=O)C1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1
Show InChI InChI=1S/C26H32N6O/c1-27-26(33)18-9-13-32(14-10-18)25-22-8-11-28-17-20(22)15-23(31-25)19-7-12-29-24(16-19)30-21-5-3-2-4-6-21/h7-8,11-12,15-18,21H,2-6,9-10,13-14H2,1H3,(H,27,33)(H,29,30)
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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))
BDBM50324310
PNG
(1-{3-[2-(Tetrahydropyran-4-ylamino)pyridin-4-yl][2...)
Show SMILES CCNC(=O)C1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCOCC2)c1
Show InChI InChI=1S/C26H32N6O2/c1-2-28-26(33)18-5-11-32(12-6-18)25-22-4-9-27-17-20(22)15-23(31-25)19-3-10-29-24(16-19)30-21-7-13-34-14-8-21/h3-4,9-10,15-18,21H,2,5-8,11-14H2,1H3,(H,28,33)(H,29,30)
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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
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531224
PNG
((R)-3-Methyl-2-(5-methyl-6-((1-methylpiperidin-3-y...)
Show SMILES CN1CCC[C@H](C1)Nc1nnc(cc1C)-c1c(C)cc(cc1O)C(F)(F)F |r|
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM118314
PNG
(US8653092, 82)
Show SMILES COc1ncc(cc1Cl)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r|
Show InChI InChI=1S/C23H29ClN6O3/c1-32-22-19(24)10-17(11-25-22)29-7-3-20-18(13-29)21(27-14-26-20)28-16-2-6-30(12-16)23(31)15-4-8-33-9-5-15/h10-11,14-16H,2-9,12-13H2,1H3,(H,26,27,28)/t16-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...


US Patent US8653092 (2014)


BindingDB Entry DOI: 10.7270/Q2M61HXZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324311
PNG
(1-{3-[2-(Tetrahydropyran-4-ylamino)pyridin-4-yl][2...)
Show SMILES CC(C)NC(=O)C1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCOCC2)c1
Show InChI InChI=1S/C27H34N6O2/c1-18(2)30-27(34)19-5-11-33(12-6-19)26-23-4-9-28-17-21(23)15-24(32-26)20-3-10-29-25(16-20)31-22-7-13-35-14-8-22/h3-4,9-10,15-19,22H,5-8,11-14H2,1-2H3,(H,29,31)(H,30,34)
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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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM118301
PNG
(US8653092, 69)
Show SMILES COc1ncc(cc1C#N)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r|
Show InChI InChI=1S/C24H29N7O3/c1-33-23-17(11-25)10-19(12-26-23)30-7-3-21-20(14-30)22(28-15-27-21)29-18-2-6-31(13-18)24(32)16-4-8-34-9-5-16/h10,12,15-16,18H,2-9,13-14H2,1H3,(H,27,28,29)/t18-/m0/s1
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Novartis AG

US Patent


Assay Description
Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...


US Patent US8653092 (2014)


BindingDB Entry DOI: 10.7270/Q2M61HXZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM118303
PNG
(US8653092, 71)
Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOC(C)(C)C3)c2C1 |r|
Show InChI InChI=1S/C26H33F3N6O3/c1-25(2)11-16(6-9-38-25)24(36)35-7-4-17(13-35)33-22-19-14-34(8-5-21(19)31-15-32-22)18-10-20(26(27,28)29)23(37-3)30-12-18/h10,12,15-17H,4-9,11,13-14H2,1-3H3,(H,31,32,33)/t16?,17-/m0/s1
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Novartis AG

US Patent


Assay Description
Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...


US Patent US8653092 (2014)


BindingDB Entry DOI: 10.7270/Q2M61HXZ
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531286
PNG
(US11208399, Example 45)
Show SMILES CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(O)cc(Cl)cc1Cl |r|
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n/an/a 3.20n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531279
PNG
(US11208399, Example 39)
Show SMILES CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(O)cc(cc1C(F)(F)F)C(F)(F)F |r|
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n/an/a 3.20n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531350
PNG
(2-(6-(((R)-1-((S)-2-Hydroxypropyl)piperidin-3-yl)a...)
Show SMILES C[C@H](O)CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.30n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531318
PNG
(US11208399, Example 70)
Show SMILES CN1CCC[C@H](C1)Nc1cc(c(nn1)-c1ccc(Cl)cc1O)C(F)(F)F |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.5n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531351
PNG
(2-(6-(((R)-1-((R)-2-Hydroxypropyl)piperidin-3-yl)a...)
Show SMILES C[C@@H](O)CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.60n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM3033
PNG
(3-{23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0...)
Show SMILES Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCC#N)c3c12
Show InChI InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKCalpha 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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