Found 118 hits with Last Name = 'gamber' and Initial = 'g' 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)) | 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: 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)) | BDBM50324325
(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) | 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: 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
(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) | 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: 5422-38 (2010)
Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J |
More data for this
Ligand-Target Pair | |
Polycystin-2
(Homo sapiens (Human)) | BDBM50324346
(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) | PDB
MMDB
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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 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 | |
Polycystin-2
(Homo sapiens (Human)) | BDBM50324324
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 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)) | BDBM50324322
(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) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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: 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
(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) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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: 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
(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) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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: 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
(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) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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: 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
(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) | NCI pathway
Reactome pathway
KEGG
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GoogleScholar
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CHEMBL
MCE
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: 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
(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) | 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: 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
(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) | 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: 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
(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) | 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: 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)) | BDBM50324335
(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 | 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: 5422-38 (2010)
Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J |
More data for this
Ligand-Target Pair | |
Polycystin-2
(Homo sapiens (Human)) | BDBM50324348
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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 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 | |
Polycystin-2
(Homo sapiens (Human)) | BDBM50324347
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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 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)) | BDBM50337697
((R)-N-(1-cyanoethyl)-3-(5-(4-((isopropylamino)meth...)Show SMILES CC(C)NCc1ccc(cc1)-c1cc([nH]n1)-c1cccc(c1)C(=O)N[C@H](C)C#N |r| Show InChI InChI=1S/C23H25N5O/c1-15(2)25-14-17-7-9-18(10-8-17)21-12-22(28-27-21)19-5-4-6-20(11-19)23(29)26-16(3)13-24/h4-12,15-16,25H,14H2,1-3H3,(H,26,29)(H,27,28)/t16-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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 human PKD1 by TR-FRET assay |
Bioorg Med Chem Lett 21: 1447-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase D1
(Homo sapiens (Human)) | BDBM50324334
(CHEMBL1215152 | Cyclohexyl-[6-piperazin-1-yl-4-(2H...)Show SMILES C1CCC(CC1)Nc1cc(ccn1)-c1cc(cc(n1)N1CCNCC1)-c1cc[nH]n1 Show InChI InChI=1S/C23H29N7/c1-2-4-19(5-3-1)27-22-15-17(6-8-25-22)21-14-18(20-7-9-26-29-20)16-23(28-21)30-12-10-24-11-13-30/h6-9,14-16,19,24H,1-5,10-13H2,(H,25,27)(H,26,29) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| 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: 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)) | BDBM50324330
(2'-Ethylamino-6-piperazin-1-yl[2,4']bipyridinyl-4-...)Show InChI InChI=1S/C17H22N6O/c1-2-20-15-10-12(3-4-21-15)14-9-13(17(18)24)11-16(22-14)23-7-5-19-6-8-23/h3-4,9-11,19H,2,5-8H2,1H3,(H2,18,24)(H,20,21) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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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: 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)) | BDBM50324332
(2'-Phenylamino-6-piperazin-1-yl[2,4']bipyridinyl-4...)Show SMILES N#Cc1cc(nc(c1)-c1ccnc(Nc2ccccc2)c1)N1CCNCC1 Show InChI InChI=1S/C21H20N6/c22-15-16-12-19(26-21(13-16)27-10-8-23-9-11-27)17-6-7-24-20(14-17)25-18-4-2-1-3-5-18/h1-7,12-14,23H,8-11H2,(H,24,25) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| 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: 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)) | BDBM50337694
((R)-N-(1-cyanoethyl)-3-(5-(4-((tetrahydro-2H-pyran...)Show SMILES C[C@@H](NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(CNC2CCOCC2)cc1)C#N |r| Show InChI InChI=1S/C25H26N4O3/c1-17(15-26)28-25(30)21-4-2-3-20(13-21)23-14-24(32-29-23)19-7-5-18(6-8-19)16-27-22-9-11-31-12-10-22/h2-8,13-14,17,22,27H,9-12,16H2,1H3,(H,28,30)/t17-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human PKD1 by TR-FRET assay |
Bioorg Med Chem Lett 21: 1447-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase D1
(Homo sapiens (Human)) | BDBM50324329
(2'-Cyclopentylamino-6-piperazin-1-yl[2,4']bipyridi...)Show SMILES NC(=O)c1cc(nc(c1)-c1ccnc(NC2CCCC2)c1)N1CCNCC1 Show InChI InChI=1S/C20H26N6O/c21-20(27)15-11-17(25-19(13-15)26-9-7-22-8-10-26)14-5-6-23-18(12-14)24-16-3-1-2-4-16/h5-6,11-13,16,22H,1-4,7-10H2,(H2,21,27)(H,23,24) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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: 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)) | BDBM50324337
(2'-Cyclohexylamino-6-((R)-3-methylpiperazin-1-yl)[...)Show SMILES C[C@@H]1CN(CCN1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O |r| Show InChI InChI=1S/C22H30N6O/c1-15-14-28(10-9-24-15)21-13-17(22(23)29)11-19(27-21)16-7-8-25-20(12-16)26-18-5-3-2-4-6-18/h7-8,11-13,15,18,24H,2-6,9-10,14H2,1H3,(H2,23,29)(H,25,26)/t15-/m1/s1 | 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 | 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: 5422-38 (2010)
Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J |
More data for this
Ligand-Target Pair | |
Polycystin-2
(Homo sapiens (Human)) | BDBM50324327
(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) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Serine/threonine-protein kinase D1
(Homo sapiens (Human)) | BDBM50324333
(2'-(1-Methyl-1H-pyrazol-3-ylamino)-6-piperazin-1-y...)Show SMILES Cn1ccc(Nc2cc(ccn2)-c2cc(cc(n2)N2CCNCC2)C#N)n1 Show InChI InChI=1S/C19H20N8/c1-26-7-3-17(25-26)24-18-12-15(2-4-22-18)16-10-14(13-20)11-19(23-16)27-8-5-21-6-9-27/h2-4,7,10-12,21H,5-6,8-9H2,1H3,(H,22,24,25) | 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 | 8 | 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: 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)) | BDBM50324338
(2'-Cyclohexylamino-6-((S)-3-methylpiperazin-1-yl)[...)Show SMILES C[C@H]1CN(CCN1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O |r| Show InChI InChI=1S/C22H30N6O/c1-15-14-28(10-9-24-15)21-13-17(22(23)29)11-19(27-21)16-7-8-25-20(12-16)26-18-5-3-2-4-6-18/h7-8,11-13,15,18,24H,2-6,9-10,14H2,1H3,(H2,23,29)(H,25,26)/t15-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | 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: 5422-38 (2010)
Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J |
More data for this
Ligand-Target Pair | |
Polycystin-2
(Homo sapiens (Human)) | BDBM50324326
(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) | PDB
MMDB
Reactome pathway
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Polycystin-2
(Homo sapiens (Human)) | BDBM50324328
(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) | PDB
MMDB
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Polycystin-2
(Homo sapiens (Human)) | BDBM50324325
(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) | PDB
MMDB
Reactome pathway
KEGG
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PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Serine/threonine-protein kinase D1
(Homo sapiens (Human)) | BDBM50337698
((R)-N-(1-cyanoethyl)-3-(5-(4-((isopropylamino)meth...)Show SMILES CC(C)NCc1ccc(cc1)-c1cc(no1)-c1cccc(c1)C(=O)N[C@H](C)C#N |r| Show InChI InChI=1S/C23H24N4O2/c1-15(2)25-14-17-7-9-18(10-8-17)22-12-21(27-29-22)19-5-4-6-20(11-19)23(28)26-16(3)13-24/h4-12,15-16,25H,14H2,1-3H3,(H,26,28)/t16-/m1/s1 | NCI pathway
Reactome pathway
KEGG
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PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 9 | 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 PKD1 by TR-FRET assay |
Bioorg Med Chem Lett 21: 1447-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX |
More data for this
Ligand-Target Pair | |
Polycystin-2
(Homo sapiens (Human)) | BDBM50324323
(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) | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
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GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Serine/threonine-protein kinase D1
(Homo sapiens (Human)) | BDBM50324339
(3-Amino-2''-cyclohexylamino-3,4,5,6-tetrahydro-2H-...)Show SMILES NC1CCCN(C1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O Show InChI InChI=1S/C22H30N6O/c23-17-5-4-10-28(14-17)21-13-16(22(24)29)11-19(27-21)15-8-9-25-20(12-15)26-18-6-2-1-3-7-18/h8-9,11-13,17-18H,1-7,10,14,23H2,(H2,24,29)(H,25,26) | NCI pathway
Reactome pathway
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UniChem
Patents
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| Article
PubMed
| n/a | n/a | 14 | 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: 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)) | BDBM50324345
(CHEMBL1215361 | Cyclohexyl-(4-difluoromethyl-6-pip...)Show SMILES FC(F)c1cc(nc(c1)-c1ccnc(NC2CCCCC2)c1)N1CCNCC1 Show InChI InChI=1S/C21H27F2N5/c22-21(23)16-12-18(27-20(14-16)28-10-8-24-9-11-28)15-6-7-25-19(13-15)26-17-4-2-1-3-5-17/h6-7,12-14,17,21,24H,1-5,8-11H2,(H,25,26) | NCI pathway
Reactome pathway
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | 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: 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 D3
(Homo sapiens (Human)) | BDBM50337694
((R)-N-(1-cyanoethyl)-3-(5-(4-((tetrahydro-2H-pyran...)Show SMILES C[C@@H](NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(CNC2CCOCC2)cc1)C#N |r| Show InChI InChI=1S/C25H26N4O3/c1-17(15-26)28-25(30)21-4-2-3-20(13-21)23-14-24(32-29-23)19-7-5-18(6-8-19)16-27-22-9-11-31-12-10-22/h2-8,13-14,17,22,27H,9-12,16H2,1H3,(H,28,30)/t17-/m1/s1 | PDB
MMDB
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | 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 PKD3 |
Bioorg Med Chem Lett 21: 1447-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX |
More data for this
Ligand-Target Pair | |
Polycystin-2
(Homo sapiens (Human)) | BDBM50324335
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Serine/threonine-protein kinase D1
(Homo sapiens (Human)) | BDBM50324331
(2'-Cyclohexylamino-6-piperazin-1-yl[2,4']bipyridin...)Show SMILES N#Cc1cc(nc(c1)-c1ccnc(NC2CCCCC2)c1)N1CCNCC1 Show InChI InChI=1S/C21H26N6/c22-15-16-12-19(26-21(13-16)27-10-8-23-9-11-27)17-6-7-24-20(14-17)25-18-4-2-1-3-5-18/h6-7,12-14,18,23H,1-5,8-11H2,(H,24,25) | NCI pathway
Reactome pathway
KEGG
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PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 18 | 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: 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)) | BDBM50337718
(CHEMBL1683438 | N-(cyanomethyl)-3-(5-(4-((tetrahyd...)Show SMILES O=C(NCC#N)c1cccc(c1)-c1cc(on1)-c1ccc(CNC2CCOCC2)cc1 Show InChI InChI=1S/C24H24N4O3/c25-10-11-26-24(29)20-3-1-2-19(14-20)22-15-23(31-28-22)18-6-4-17(5-7-18)16-27-21-8-12-30-13-9-21/h1-7,14-15,21,27H,8-9,11-13,16H2,(H,26,29) | NCI pathway
Reactome pathway
KEGG
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UniChem
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| Article
PubMed
| 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 human PKD1 by TR-FRET assay |
Bioorg Med Chem Lett 21: 1447-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase D1
(Homo sapiens (Human)) | BDBM50324344
(CHEMBL1215360 | Cyclohexyl-(6-piperazin-1-yl-4-tri...)Show SMILES FC(F)(F)c1cc(nc(c1)-c1ccnc(NC2CCCCC2)c1)N1CCNCC1 Show InChI InChI=1S/C21H26F3N5/c22-21(23,24)16-13-18(28-20(14-16)29-10-8-25-9-11-29)15-6-7-26-19(12-15)27-17-4-2-1-3-5-17/h6-7,12-14,17,25H,1-5,8-11H2,(H,26,27) | NCI pathway
Reactome pathway
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UniChem
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| Article
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 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)) | BDBM50324340
(2'-Cyclohexylamino-6-(4-methylpiperazin-1-yl)[2,4'...)Show SMILES CN1CCN(CC1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O Show InChI InChI=1S/C22H30N6O/c1-27-9-11-28(12-10-27)21-15-17(22(23)29)13-19(26-21)16-7-8-24-20(14-16)25-18-5-3-2-4-6-18/h7-8,13-15,18H,2-6,9-12H2,1H3,(H2,23,29)(H,24,25) | NCI pathway
Reactome pathway
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UniChem
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| Article
PubMed
| n/a | n/a | 25 | 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: 5422-38 (2010)
Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J |
More data for this
Ligand-Target Pair | |
Polycystin-2
(Homo sapiens (Human)) | BDBM50324330
(2'-Ethylamino-6-piperazin-1-yl[2,4']bipyridinyl-4-...)Show InChI InChI=1S/C17H22N6O/c1-2-20-15-10-12(3-4-21-15)14-9-13(17(18)24)11-16(22-14)23-7-5-19-6-8-23/h3-4,9-11,19H,2,5-8H2,1H3,(H2,18,24)(H,20,21) | PDB
MMDB
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PC sid
UniChem
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| Article
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 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)) | 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
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CHEMBL
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PubMed
| 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 inhibition of HDAC5 neuclear export |
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)) | BDBM50324321
(6-(2-Cyclohexylaminopyridin-4-yl)-4-piperazin-1-yl...)Show SMILES O=C1NCc2c1cc(nc2N1CCNCC1)-c1ccnc(NC2CCCCC2)c1 Show InChI InChI=1S/C22H28N6O/c29-22-17-13-19(27-21(18(17)14-25-22)28-10-8-23-9-11-28)15-6-7-24-20(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) | NCI pathway
Reactome pathway
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UniChem
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| Article
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 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 | |
Polycystin-2
(Homo sapiens (Human)) | BDBM50324332
(2'-Phenylamino-6-piperazin-1-yl[2,4']bipyridinyl-4...)Show SMILES N#Cc1cc(nc(c1)-c1ccnc(Nc2ccccc2)c1)N1CCNCC1 Show InChI InChI=1S/C21H20N6/c22-15-16-12-19(26-21(13-16)27-10-8-23-9-11-27)17-6-7-24-20(14-17)25-18-4-2-1-3-5-18/h1-7,12-14,23H,8-11H2,(H,24,25) | PDB
MMDB
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PC sid
UniChem
Similars
| Article
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 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)) | BDBM50324341
(Aminomethyl-2''-cyclohexylamino-3,4,5,6-tetrahydro...)Show SMILES NCC1CCN(CC1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O Show InChI InChI=1S/C23H32N6O/c24-15-16-7-10-29(11-8-16)22-14-18(23(25)30)12-20(28-22)17-6-9-26-21(13-17)27-19-4-2-1-3-5-19/h6,9,12-14,16,19H,1-5,7-8,10-11,15,24H2,(H2,25,30)(H,26,27) | NCI pathway
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UniChem
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| Article
PubMed
| n/a | n/a | 46 | 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: 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 D2
(Homo sapiens (Human)) | BDBM50337694
((R)-N-(1-cyanoethyl)-3-(5-(4-((tetrahydro-2H-pyran...)Show SMILES C[C@@H](NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(CNC2CCOCC2)cc1)C#N |r| Show InChI InChI=1S/C25H26N4O3/c1-17(15-26)28-25(30)21-4-2-3-20(13-21)23-14-24(32-29-23)19-7-5-18(6-8-19)16-27-22-9-11-31-12-10-22/h2-8,13-14,17,22,27H,9-12,16H2,1H3,(H,28,30)/t17-/m1/s1 | PDB
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UniChem
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PubMed
| n/a | n/a | 48 | 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 PKD2 |
Bioorg Med Chem Lett 21: 1447-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase D1
(Homo sapiens (Human)) | BDBM50337719
(CHEMBL1683439 | N-(2-cyanopropan-2-yl)-3-(5-(4-((t...)Show SMILES CC(C)(NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(CNC2CCOCC2)cc1)C#N Show InChI InChI=1S/C26H28N4O3/c1-26(2,17-27)29-25(31)21-5-3-4-20(14-21)23-15-24(33-30-23)19-8-6-18(7-9-19)16-28-22-10-12-32-13-11-22/h3-9,14-15,22,28H,10-13,16H2,1-2H3,(H,29,31) | NCI pathway
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UniChem
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| 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 human PKD1 by TR-FRET assay |
Bioorg Med Chem Lett 21: 1447-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase D1
(Homo sapiens (Human)) | BDBM50324342
(2'-Cyclohexylamino-6-(3,3-dimethylpiperazin-1-yl)[...)Show SMILES CC1(C)CN(CCN1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O Show InChI InChI=1S/C23H32N6O/c1-23(2)15-29(11-10-26-23)21-14-17(22(24)30)12-19(28-21)16-8-9-25-20(13-16)27-18-6-4-3-5-7-18/h8-9,12-14,18,26H,3-7,10-11,15H2,1-2H3,(H2,24,30)(H,25,27) | NCI pathway
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UniChem
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| Article
PubMed
| n/a | n/a | 55 | 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: 5422-38 (2010)
Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J |
More data for this
Ligand-Target Pair | |
Polycystin-2
(Homo sapiens (Human)) | BDBM50324329
(2'-Cyclopentylamino-6-piperazin-1-yl[2,4']bipyridi...)Show SMILES NC(=O)c1cc(nc(c1)-c1ccnc(NC2CCCC2)c1)N1CCNCC1 Show InChI InChI=1S/C20H26N6O/c21-20(27)15-11-17(25-19(13-15)26-9-7-22-8-10-26)14-5-6-23-18(12-14)24-16-3-1-2-4-16/h5-6,11-13,16,22H,1-4,7-10H2,(H2,21,27)(H,23,24) | PDB
MMDB
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UniChem
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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 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 | |
Polycystin-2
(Homo sapiens (Human)) | BDBM50324337
(2'-Cyclohexylamino-6-((R)-3-methylpiperazin-1-yl)[...)Show SMILES C[C@@H]1CN(CCN1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O |r| Show InChI InChI=1S/C22H30N6O/c1-15-14-28(10-9-24-15)21-13-17(22(23)29)11-19(27-21)16-7-8-25-20(12-16)26-18-5-3-2-4-6-18/h7-8,11-13,15,18,24H,2-6,9-10,14H2,1H3,(H2,23,29)(H,25,26)/t15-/m1/s1 | PDB
MMDB
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PC cid
PC sid
UniChem
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| 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 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)) | BDBM50337696
((R)-N-(1-cyanoethyl)-3-(5-(4-(4-methylpiperazin-1-...)Show SMILES C[C@@H](NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(cc1)N1CCN(C)CC1)C#N |r| Show InChI InChI=1S/C24H25N5O2/c1-17(16-25)26-24(30)20-5-3-4-19(14-20)22-15-23(31-27-22)18-6-8-21(9-7-18)29-12-10-28(2)11-13-29/h3-9,14-15,17H,10-13H2,1-2H3,(H,26,30)/t17-/m1/s1 | NCI pathway
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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 human PKD1 by TR-FRET assay |
Bioorg Med Chem Lett 21: 1447-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX |
More data for this
Ligand-Target Pair | |
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