Found 99 hits with Last Name = 'dobler' and Initial = 'mr' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Serine/threonine-protein kinase D1
(Homo sapiens (Human)) | BDBM50324297
(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) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50324315
(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) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50324306
(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) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | NCI pathway
Reactome pathway
KEGG
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | NCI pathway
Reactome pathway
KEGG
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50324313
(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) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50324312
(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) | NCI pathway
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50324311
(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) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50324310
(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) | NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19130
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20) | PDB
MMDB
NCI pathway
Reactome pathway
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| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC1 using rhodamine as substrate after 1 hrs by fluorescence assay |
Bioorg Med Chem 19: 4626-34 (2011)
Article DOI: 10.1016/j.bmc.2011.06.030
BindingDB Entry DOI: 10.7270/Q2319W8N |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase D1
(Homo sapiens (Human)) | BDBM50324291
(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+ | NCI pathway
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/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 alpha type
(Homo sapiens (Human)) | BDBM3033
(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
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B.MOAD
DrugBank
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GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Serine/threonine-protein kinase D1
(Homo sapiens (Human)) | BDBM50324307
(CHEMBL1214786 | {1-[3-(2-Cyclohexylaminopyridin-4-...)Show SMILES OC1CCN(CC1)C(=O)C1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1 Show InChI InChI=1S/C30H38N6O2/c37-25-10-16-36(17-11-25)30(38)21-8-14-35(15-9-21)29-26-7-12-31-20-23(26)18-27(34-29)22-6-13-32-28(19-22)33-24-4-2-1-3-5-24/h6-7,12-13,18-21,24-25,37H,1-5,8-11,14-17H2,(H,32,33) | NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM19130
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC2 using rhodamine as substrate after 1 hrs by fluorescence assay |
Bioorg Med Chem 19: 4626-34 (2011)
Article DOI: 10.1016/j.bmc.2011.06.030
BindingDB Entry DOI: 10.7270/Q2319W8N |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase D1
(Homo sapiens (Human)) | BDBM50324308
(2-Amino-1-(4-{3-[2-(tetrahydropyran-4-ylamino)pyri...)Show SMILES NCC(=O)N1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCOCC2)c1 Show InChI InChI=1S/C24H29N7O2/c25-15-23(32)30-7-9-31(10-8-30)24-20-2-5-26-16-18(20)13-21(29-24)17-1-6-27-22(14-17)28-19-3-11-33-12-4-19/h1-2,5-6,13-14,16,19H,3-4,7-12,15,25H2,(H,27,28) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50324293
(CHEMBL1215642 | Cyclohexyl-{4-[1-(4-isobutylpipera...)Show SMILES CC(C)CN1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1 Show InChI InChI=1S/C27H36N6/c1-20(2)19-32-12-14-33(15-13-32)27-24-9-10-28-18-22(24)16-25(31-27)21-8-11-29-26(17-21)30-23-6-4-3-5-7-23/h8-11,16-18,20,23H,3-7,12-15,19H2,1-2H3,(H,29,30) | NCI pathway
Reactome pathway
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PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50324297
(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) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of PKD1 assessed as HDAC5 neuclear export |
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)) | BDBM50324286
(1-(1-Piperazinyl)-3-(2-cyclohexylaminopyrid-4-yl)i...)Show SMILES C1CCC(CC1)Nc1cc(ccn1)-c1cc2ccccc2c(n1)N1CCNCC1 Show InChI InChI=1S/C24H29N5/c1-2-7-20(8-3-1)27-23-17-19(10-11-26-23)22-16-18-6-4-5-9-21(18)24(28-22)29-14-12-25-13-15-29/h4-6,9-11,16-17,20,25H,1-3,7-8,12-15H2,(H,26,27) | NCI pathway
Reactome pathway
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50324295
(CHEMBL1215709 | Cyclohexyl-{4-[1-(4-cyclopropylpip...)Show SMILES C1CC1N1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1 Show InChI InChI=1S/C26H32N6/c1-2-4-21(5-3-1)29-25-17-19(8-11-28-25)24-16-20-18-27-10-9-23(20)26(30-24)32-14-12-31(13-15-32)22-6-7-22/h8-11,16-18,21-22H,1-7,12-15H2,(H,28,29) | NCI pathway
Reactome pathway
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PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50324300
(1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyri...)Show SMILES OC1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1 Show InChI InChI=1S/C24H29N5O/c30-20-8-12-29(13-9-20)24-21-7-10-25-16-18(21)14-22(28-24)17-6-11-26-23(15-17)27-19-4-2-1-3-5-19/h6-7,10-11,14-16,19-20,30H,1-5,8-9,12-13H2,(H,26,27) | NCI pathway
Reactome pathway
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PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50324289
(CHEMBL1215572 | Cyclohexyl-[4-(5-piperazin-1-yl[1,...)Show SMILES C1CCC(CC1)Nc1cc(ccn1)-c1cc2ncccc2c(n1)N1CCNCC1 Show InChI InChI=1S/C23H28N6/c1-2-5-18(6-3-1)27-22-15-17(8-10-26-22)20-16-21-19(7-4-9-25-21)23(28-20)29-13-11-24-12-14-29/h4,7-10,15-16,18,24H,1-3,5-6,11-14H2,(H,26,27) | NCI pathway
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PC sid
UniChem
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PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50324302
(1-{4-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphth...)Show SMILES CC(=O)C1CN(CCN1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1 Show InChI InChI=1S/C25H30N6O/c1-17(32)23-16-31(12-11-27-23)25-21-8-9-26-15-19(21)13-22(30-25)18-7-10-28-24(14-18)29-20-5-3-2-4-6-20/h7-10,13-15,20,23,27H,2-6,11-12,16H2,1H3,(H,28,29) | NCI pathway
Reactome pathway
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UniChem
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | NCI pathway
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UniChem
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of PKD1 assessed as HDAC5 neuclear export |
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 delta type
(Homo sapiens (Human)) | BDBM50324316
(CHEMBL1214929 | N*1*-(3-Pyridin-4-yl[2,6]naphthyri...)Show InChI InChI=1S/C15H15N5/c16-4-8-19-15-13-3-7-18-10-12(13)9-14(20-15)11-1-5-17-6-2-11/h1-3,5-7,9-10H,4,8,16H2,(H,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCdelta 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)) | BDBM3033
(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) | NCI pathway
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MCE
PC cid
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| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50324291
(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+ | NCI pathway
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UniChem
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of PKD1 assessed as HDAC5 neuclear export |
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 delta type
(Homo sapiens (Human)) | BDBM50324319
(1-Piperazin-1-yl-3-pyridin-4-yl[2,6]naphthyridine ...)Show InChI InChI=1S/C17H17N5/c1-4-18-5-2-13(1)16-11-14-12-20-6-3-15(14)17(21-16)22-9-7-19-8-10-22/h1-6,11-12,19H,7-10H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCdelta 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)) | BDBM50324315
(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) | NCI pathway
Reactome pathway
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of PKD1 assessed as HDAC5 neuclear export |
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)) | BDBM50324306
(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) | NCI pathway
Reactome pathway
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PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of PKD1 assessed as HDAC5 neuclear export |
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)) | BDBM50324290
(CHEMBL1215573 | Cyclohexyl-[4-(4-piperazin-1-ylqui...)Show SMILES C1CCC(CC1)Nc1cc(ccn1)-c1nc(N2CCNCC2)c2ccccc2n1 Show InChI InChI=1S/C23H28N6/c1-2-6-18(7-3-1)26-21-16-17(10-11-25-21)22-27-20-9-5-4-8-19(20)23(28-22)29-14-12-24-13-15-29/h4-5,8-11,16,18,24H,1-3,6-7,12-15H2,(H,25,26) | NCI pathway
Reactome pathway
KEGG
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PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of PKD1 assessed as HDAC5 neuclear export |
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
(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) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of PKD1 assessed as HDAC5 neuclear export |
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)) | BDBM50324320
(3-(2-Chloropyridin-4-yl)-1-piperazin-1-yl[2,6]naph...)Show InChI InChI=1S/C17H16ClN5/c18-16-10-12(1-4-21-16)15-9-13-11-20-3-2-14(13)17(22-15)23-7-5-19-6-8-23/h1-4,9-11,19H,5-8H2 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
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UniChem
Similars
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PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM19130
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
DrugBank
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| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC6 using rhodamine as substrate after 1 hrs by fluorescence assay |
Bioorg Med Chem 19: 4626-34 (2011)
Article DOI: 10.1016/j.bmc.2011.06.030
BindingDB Entry DOI: 10.7270/Q2319W8N |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Serine/threonine-protein kinase D1
(Homo sapiens (Human)) | BDBM50324319
(1-Piperazin-1-yl-3-pyridin-4-yl[2,6]naphthyridine ...)Show InChI InChI=1S/C17H17N5/c1-4-18-5-2-13(1)16-11-14-12-20-6-3-15(14)17(21-16)22-9-7-19-8-10-22/h1-6,11-12,19H,7-10H2 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50324313
(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) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of PKD1 assessed as HDAC5 neuclear export |
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)) | BDBM3033
(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) | NCI pathway
Reactome pathway
KEGG
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| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of PKD1 assessed as HDAC5 neuclear export |
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
(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) | NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of PKD1 assessed as HDAC5 neuclear export |
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)) | BDBM50324303
(1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyri...)Show SMILES NC(=O)C1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1 Show InChI InChI=1S/C25H30N6O/c26-24(32)17-8-12-31(13-9-17)25-21-7-10-27-16-19(21)14-22(30-25)18-6-11-28-23(15-18)29-20-4-2-1-3-5-20/h6-7,10-11,14-17,20H,1-5,8-9,12-13H2,(H2,26,32)(H,28,29) | NCI pathway
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50324310
(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) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of PKD1 assessed as HDAC5 neuclear export |
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 | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50350236
(CHEMBL1812335)Show SMILES N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1Cc2ccccc2C1 |r| Show InChI InChI=1S/C17H16Cl2N2O/c18-14-6-5-11(15(19)8-14)7-16(20)17(22)21-9-12-3-1-2-4-13(12)10-21/h1-6,8,16H,7,9-10,20H2/t16-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of N terminal hexahistidine-tagged human HDAC8 expressed in Sf9 cells after 1 hr by fluorescence assay |
Bioorg Med Chem 19: 4626-34 (2011)
Article DOI: 10.1016/j.bmc.2011.06.030
BindingDB Entry DOI: 10.7270/Q2319W8N |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase D1
(Homo sapiens (Human)) | BDBM50324304
(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) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of PKD1 assessed as HDAC5 neuclear export |
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
(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) | NCI pathway
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of PKD1 assessed as HDAC5 neuclear export |
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)) | BDBM50324288
(CHEMBL1215571 | Cyclohexyl-[4-(1-piperazin-1-yl[2,...)Show SMILES C1CCC(CC1)Nc1cc(ccn1)-c1cc2ccncc2c(n1)N1CCNCC1 Show InChI InChI=1S/C23H28N6/c1-2-4-19(5-3-1)27-22-15-18(7-9-26-22)21-14-17-6-8-25-16-20(17)23(28-21)29-12-10-24-11-13-29/h6-9,14-16,19,24H,1-5,10-13H2,(H,26,27) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 191 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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