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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Pkd1'   
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
Pkd1


(Rattus norvegicus)
BDBM50337694
PNG
((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
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
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 240n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 in rat neonatal ventricular myocytes expressing GFP-HDAC5 assessed as inhibition of phosphorylation-dependent HDAC5 nuclear export


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
Pkd1


(Rattus norvegicus)
BDBM50337698
PNG
((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
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
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 460n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 in rat neonatal ventricular myocytes expressing GFP-HDAC5 assessed as inhibition of phosphorylation-dependent HDAC5 nuclear export


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
Pkd1


(Rattus norvegicus)
BDBM50337697
PNG
((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
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
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 530n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 in rat neonatal ventricular myocytes expressing GFP-HDAC5 assessed as inhibition of phosphorylation-dependent HDAC5 nuclear export


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
Pkd1


(Rattus norvegicus)
BDBM50337696
PNG
((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
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
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 570n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 in rat neonatal ventricular myocytes expressing GFP-HDAC5 assessed as inhibition of phosphorylation-dependent HDAC5 nuclear export


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
Pkd1


(Rattus norvegicus)
BDBM50337695
PNG
(3-(5-(3-bromo-4-(4-methylpiperazin-1-yl)phenyl)-1H...)
Show SMILES CN1CCN(CC1)c1ccc(cc1Br)-c1cc(n[nH]1)-c1cccc(c1)C(=O)NCC#N
Show InChI InChI=1S/C23H23BrN6O/c1-29-9-11-30(12-10-29)22-6-5-17(14-19(22)24)21-15-20(27-28-21)16-3-2-4-18(13-16)23(31)26-8-7-25/h2-6,13-15H,8-12H2,1H3,(H,26,31)(H,27,28)
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 680n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 in rat neonatal ventricular myocytes expressing GFP-HDAC5 assessed as inhibition of phosphorylation-dependent HDAC5 nuclear export


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