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PubMed code 21617763

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
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
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50336960
PNG
(3,4-Dihydro-9-hydroxy-[1]benzothieno[2,3-f]-1,4-th...)
Show SMILES Oc1ccc2sc3c(SCCNC3=O)c2c1
Show InChI InChI=1S/C11H9NO2S2/c13-6-1-2-8-7(5-6)9-10(16-8)11(14)12-3-4-15-9/h1-2,5,13H,3-4H2,(H,12,14)
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n/an/a 28.3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKD1 after 10 mins by radiometric assay


ACS Med Chem Lett 2: 154-159 (2012)


Article DOI: 10.1021/ml100230n
BindingDB Entry DOI: 10.7270/Q29G5NTR
More data for this
Ligand-Target Pair
Polycystin-2


(Homo sapiens (Human))
BDBM50336958
PNG
(2-Methoxy-7H,8H,9H-1,4-thiazepino[7',6'-5,4]thioph...)
Show SMILES COc1ncc2sc3c(SCCNC3=O)c2n1
Show InChI InChI=1S/C10H9N3O2S2/c1-15-10-12-4-5-6(13-10)7-8(17-5)9(14)11-2-3-16-7/h4H,2-3H2,1H3,(H,11,14)
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n/an/a 50n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKD2 after 10 mins by radiometric assay


ACS Med Chem Lett 2: 154-159 (2012)


Article DOI: 10.1021/ml100230n
BindingDB Entry DOI: 10.7270/Q29G5NTR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50336961
PNG
(3,4-Dihydro-9-azido-[1]benzothieno[2,3-f]-1,4-thia...)
Show SMILES [N-]=[N+]=Nc1ccc2sc3c(SCCNC3=O)c2c1
Show InChI InChI=1S/C11H8N4OS2/c12-15-14-6-1-2-8-7(5-6)9-10(18-8)11(16)13-3-4-17-9/h1-2,5H,3-4H2,(H,13,16)
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n/an/a 74.9n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKD1 after 10 mins by radiometric assay


ACS Med Chem Lett 2: 154-159 (2012)


Article DOI: 10.1021/ml100230n
BindingDB Entry DOI: 10.7270/Q29G5NTR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50119286
PNG
(3-Methoxy-7,8-dihydro-6H-5,10-dithia-8-aza-benzo[a...)
Show SMILES COc1ccc2sc3c(SCCNC3=O)c2c1
Show InChI InChI=1S/C12H11NO2S2/c1-15-7-2-3-9-8(6-7)10-11(17-9)12(14)13-4-5-16-10/h2-3,6H,4-5H2,1H3,(H,13,14)
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n/an/a 82.5n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKD1 after 10 mins by radiometric assay


ACS Med Chem Lett 2: 154-159 (2012)


Article DOI: 10.1021/ml100230n
BindingDB Entry DOI: 10.7270/Q29G5NTR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50336962
PNG
(2,3,4,5-Tetrahydro-10-hydroxybenzo[b]thieno[2,3-f]...)
Show SMILES Oc1ccc2sc3c(SCCCNC3=O)c2c1
Show InChI InChI=1S/C12H11NO2S2/c14-7-2-3-9-8(6-7)10-11(17-9)12(15)13-4-1-5-16-10/h2-3,6,14H,1,4-5H2,(H,13,15)
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n/an/a 111n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKD1 after 10 mins by radiometric assay


ACS Med Chem Lett 2: 154-159 (2012)


Article DOI: 10.1021/ml100230n
BindingDB Entry DOI: 10.7270/Q29G5NTR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50336958
PNG
(2-Methoxy-7H,8H,9H-1,4-thiazepino[7',6'-5,4]thioph...)
Show SMILES COc1ncc2sc3c(SCCNC3=O)c2n1
Show InChI InChI=1S/C10H9N3O2S2/c1-15-10-12-4-5-6(13-10)7-8(17-5)9(14)11-2-3-16-7/h4H,2-3H2,1H3,(H,11,14)
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n/an/a 124n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKD1 after 10 mins by radiometric assay


ACS Med Chem Lett 2: 154-159 (2012)


Article DOI: 10.1021/ml100230n
BindingDB Entry DOI: 10.7270/Q29G5NTR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50336959
PNG
(3,4,5,10-Tetrahydro-7-hydroxy-azepino[3,4-b]indol-...)
Show SMILES Oc1ccc2[nH]c3c(CCCNC3=O)c2c1
Show InChI InChI=1S/C12H12N2O2/c15-7-3-4-10-9(6-7)8-2-1-5-13-12(16)11(8)14-10/h3-4,6,14-15H,1-2,5H2,(H,13,16)
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n/an/a 130n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKD1 after 10 mins by radiometric assay


ACS Med Chem Lett 2: 154-159 (2012)


Article DOI: 10.1021/ml100230n
BindingDB Entry DOI: 10.7270/Q29G5NTR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM32334
PNG
(7-hydroxy-2,3,4,5-tetrahydro-1H-[1]benzofuro[2,3-c...)
Show SMILES Oc1ccc2oc3c(CCCNC3=O)c2c1
Show InChI InChI=1S/C12H11NO3/c14-7-3-4-10-9(6-7)8-2-1-5-13-12(15)11(8)16-10/h3-4,6,14H,1-2,5H2,(H,13,15)
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n/an/a 182n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKD1 after 10 mins by radiometric assay


ACS Med Chem Lett 2: 154-159 (2012)


Article DOI: 10.1021/ml100230n
BindingDB Entry DOI: 10.7270/Q29G5NTR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50336963
PNG
(2,3,4,5-Tetrahydro-10-methoxybenzo[b]thieno[2,3-f]...)
Show SMILES COc1ccc2sc3c(SCCCNC3=O)c2c1
Show InChI InChI=1S/C13H13NO2S2/c1-16-8-3-4-10-9(7-8)11-12(18-10)13(15)14-5-2-6-17-11/h3-4,7H,2,5-6H2,1H3,(H,14,15)
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n/an/a 193n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKD1 after 10 mins by radiometric assay


ACS Med Chem Lett 2: 154-159 (2012)


Article DOI: 10.1021/ml100230n
BindingDB Entry DOI: 10.7270/Q29G5NTR
More data for this
Ligand-Target Pair
Polycystin-2


(Homo sapiens (Human))
BDBM32334
PNG
(7-hydroxy-2,3,4,5-tetrahydro-1H-[1]benzofuro[2,3-c...)
Show SMILES Oc1ccc2oc3c(CCCNC3=O)c2c1
Show InChI InChI=1S/C12H11NO3/c14-7-3-4-10-9(6-7)8-2-1-5-13-12(15)11(8)16-10/h3-4,6,14H,1-2,5H2,(H,13,15)
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n/an/a 280n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKD2 after 10 mins by radiometric assay


ACS Med Chem Lett 2: 154-159 (2012)


Article DOI: 10.1021/ml100230n
BindingDB Entry DOI: 10.7270/Q29G5NTR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50336961
PNG
(3,4-Dihydro-9-azido-[1]benzothieno[2,3-f]-1,4-thia...)
Show SMILES [N-]=[N+]=Nc1ccc2sc3c(SCCNC3=O)c2c1
Show InChI InChI=1S/C11H8N4OS2/c12-15-14-6-1-2-8-7(5-6)9-10(18-8)11(16)13-3-4-17-9/h1-2,5H,3-4H2,(H,13,16)
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of PKD1 autophosphorylation at Ser916 in human PMA-induced LNCAP cells by Western blotting


ACS Med Chem Lett 2: 154-159 (2012)


Article DOI: 10.1021/ml100230n
BindingDB Entry DOI: 10.7270/Q29G5NTR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50336960
PNG
(3,4-Dihydro-9-hydroxy-[1]benzothieno[2,3-f]-1,4-th...)
Show SMILES Oc1ccc2sc3c(SCCNC3=O)c2c1
Show InChI InChI=1S/C11H9NO2S2/c13-6-1-2-8-7(5-6)9-10(16-8)11(14)12-3-4-15-9/h1-2,5,13H,3-4H2,(H,12,14)
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of PKD1 autophosphorylation at Ser916 in human PMA-induced LNCAP cells by Western blotting


ACS Med Chem Lett 2: 154-159 (2012)


Article DOI: 10.1021/ml100230n
BindingDB Entry DOI: 10.7270/Q29G5NTR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50336962
PNG
(2,3,4,5-Tetrahydro-10-hydroxybenzo[b]thieno[2,3-f]...)
Show SMILES Oc1ccc2sc3c(SCCCNC3=O)c2c1
Show InChI InChI=1S/C12H11NO2S2/c14-7-2-3-9-8(6-7)10-11(17-9)12(15)13-4-1-5-16-10/h2-3,6,14H,1,4-5H2,(H,13,15)
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of PKD1 autophosphorylation at Ser916 in human PMA-induced LNCAP cells by Western blotting


ACS Med Chem Lett 2: 154-159 (2012)


Article DOI: 10.1021/ml100230n
BindingDB Entry DOI: 10.7270/Q29G5NTR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50119286
PNG
(3-Methoxy-7,8-dihydro-6H-5,10-dithia-8-aza-benzo[a...)
Show SMILES COc1ccc2sc3c(SCCNC3=O)c2c1
Show InChI InChI=1S/C12H11NO2S2/c1-15-7-2-3-9-8(6-7)10-11(17-9)12(14)13-4-5-16-10/h2-3,6H,4-5H2,1H3,(H,13,14)
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of PKD1 autophosphorylation at Ser916 in human PMA-induced LNCAP cells by Western blotting


ACS Med Chem Lett 2: 154-159 (2012)


Article DOI: 10.1021/ml100230n
BindingDB Entry DOI: 10.7270/Q29G5NTR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50336958
PNG
(2-Methoxy-7H,8H,9H-1,4-thiazepino[7',6'-5,4]thioph...)
Show SMILES COc1ncc2sc3c(SCCNC3=O)c2n1
Show InChI InChI=1S/C10H9N3O2S2/c1-15-10-12-4-5-6(13-10)7-8(17-5)9(14)11-2-3-16-7/h4H,2-3H2,1H3,(H,11,14)
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n/an/a 6.80E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of PKD1 autophosphorylation at Ser916 in human PMA-induced LNCAP cells by Western blotting


ACS Med Chem Lett 2: 154-159 (2012)


Article DOI: 10.1021/ml100230n
BindingDB Entry DOI: 10.7270/Q29G5NTR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM32334
PNG
(7-hydroxy-2,3,4,5-tetrahydro-1H-[1]benzofuro[2,3-c...)
Show SMILES Oc1ccc2oc3c(CCCNC3=O)c2c1
Show InChI InChI=1S/C12H11NO3/c14-7-3-4-10-9(6-7)8-2-1-5-13-12(15)11(8)16-10/h3-4,6,14H,1-2,5H2,(H,13,15)
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n/an/a 1.18E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of PKD1 autophosphorylation at Ser916 in human PMA-induced LNCAP cells by Western blotting


ACS Med Chem Lett 2: 154-159 (2012)


Article DOI: 10.1021/ml100230n
BindingDB Entry DOI: 10.7270/Q29G5NTR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50336963
PNG
(2,3,4,5-Tetrahydro-10-methoxybenzo[b]thieno[2,3-f]...)
Show SMILES COc1ccc2sc3c(SCCCNC3=O)c2c1
Show InChI InChI=1S/C13H13NO2S2/c1-16-8-3-4-10-9(7-8)11-12(18-10)13(15)14-5-2-6-17-11/h3-4,7H,2,5-6H2,1H3,(H,14,15)
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n/an/a 1.86E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of PKD1 autophosphorylation at Ser916 in human PMA-induced LNCAP cells by Western blotting


ACS Med Chem Lett 2: 154-159 (2012)


Article DOI: 10.1021/ml100230n
BindingDB Entry DOI: 10.7270/Q29G5NTR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50336959
PNG
(3,4,5,10-Tetrahydro-7-hydroxy-azepino[3,4-b]indol-...)
Show SMILES Oc1ccc2[nH]c3c(CCCNC3=O)c2c1
Show InChI InChI=1S/C12H12N2O2/c15-7-3-4-10-9(6-7)8-2-1-5-13-12(16)11(8)14-10/h3-4,6,14-15H,1-2,5H2,(H,13,16)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of PKD1 autophosphorylation at Ser916 in human PMA-induced LNCAP cells by Western blotting


ACS Med Chem Lett 2: 154-159 (2012)


Article DOI: 10.1021/ml100230n
BindingDB Entry DOI: 10.7270/Q29G5NTR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%