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Compile Data Set for Download or QSAR

Found 14 hits from Department of Medicinal Chemistry, School of Pharmacy, Purdue University, West Lafayette, IN 47907-1333, USA.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein kinase C (PKC)


(Rattus norvegicus)
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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PubMed
n/an/a 10n/an/an/an/an/an/a



Department of Medicinal Chemistry, School of Pharmacy, Purdue University, West Lafayette, IN 47907-1333, USA.

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C


Bioorg Med Chem Lett 9: 2279-82 (1999)


Article DOI: 10.1016/s0960-894x(99)00375-3
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Rattus norvegicus)
BDBM50217039
PNG
(CHEMBL420938)
Show SMILES OCc1csc(c1)-c1ccc(s1)-c1ccc(C=O)s1
Show InChI InChI=1S/C14H10O2S3/c15-6-9-5-14(17-8-9)13-4-3-12(19-13)11-2-1-10(7-16)18-11/h1-5,7-8,15H,6H2
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PubMed
n/an/a 300n/an/an/an/an/an/a



Department of Medicinal Chemistry, School of Pharmacy, Purdue University, West Lafayette, IN 47907-1333, USA.

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C


Bioorg Med Chem Lett 9: 2279-82 (1999)


Article DOI: 10.1016/s0960-894x(99)00375-3
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Rattus norvegicus)
BDBM50217036
PNG
(CHEMBL74983)
Show SMILES O=Cc1csc(c1)-c1ccc(s1)-c1ccc(C=O)s1
Show InChI InChI=1S/C14H8O2S3/c15-6-9-5-14(17-8-9)13-4-3-12(19-13)11-2-1-10(7-16)18-11/h1-8H
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n/an/a 700n/an/an/an/an/an/a



Department of Medicinal Chemistry, School of Pharmacy, Purdue University, West Lafayette, IN 47907-1333, USA.

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C


Bioorg Med Chem Lett 9: 2279-82 (1999)


Article DOI: 10.1016/s0960-894x(99)00375-3
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Rattus norvegicus)
BDBM50217032
PNG
(CHEMBL76100)
Show SMILES OCc1csc(c1)-c1ccc(s1)-c1cccs1
Show InChI InChI=1S/C13H10OS3/c14-7-9-6-13(16-8-9)12-4-3-11(17-12)10-2-1-5-15-10/h1-6,8,14H,7H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, School of Pharmacy, Purdue University, West Lafayette, IN 47907-1333, USA.

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C


Bioorg Med Chem Lett 9: 2279-82 (1999)


Article DOI: 10.1016/s0960-894x(99)00375-3
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Rattus norvegicus)
BDBM50217040
PNG
(CHEMBL73495)
Show SMILES O=Cc1csc(c1)-c1ccc(s1)-c1cccs1
Show InChI InChI=1S/C13H8OS3/c14-7-9-6-13(16-8-9)12-4-3-11(17-12)10-2-1-5-15-10/h1-8H
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n/an/a 5.00E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, School of Pharmacy, Purdue University, West Lafayette, IN 47907-1333, USA.

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C


Bioorg Med Chem Lett 9: 2279-82 (1999)


Article DOI: 10.1016/s0960-894x(99)00375-3
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Rattus norvegicus)
BDBM50217033
PNG
(CHEMBL308288)
Show SMILES OCc1ccc(s1)-c1ccc(s1)-c1cc(C=O)cs1
Show InChI InChI=1S/C14H10O2S3/c15-6-9-5-14(17-8-9)13-4-3-12(19-13)11-2-1-10(7-16)18-11/h1-6,8,16H,7H2
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n/an/a 3.00E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry, School of Pharmacy, Purdue University, West Lafayette, IN 47907-1333, USA.

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C


Bioorg Med Chem Lett 9: 2279-82 (1999)


Article DOI: 10.1016/s0960-894x(99)00375-3
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Rattus norvegicus)
BDBM50217037
PNG
(CHEMBL72370)
Show SMILES OCc1csc(c1)-c1ccc(s1)-c1ccc(CO)s1
Show InChI InChI=1S/C14H12O2S3/c15-6-9-5-14(17-8-9)13-4-3-12(19-13)11-2-1-10(7-16)18-11/h1-5,8,15-16H,6-7H2
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n/an/a 3.00E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry, School of Pharmacy, Purdue University, West Lafayette, IN 47907-1333, USA.

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C


Bioorg Med Chem Lett 9: 2279-82 (1999)


Article DOI: 10.1016/s0960-894x(99)00375-3
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Rattus norvegicus)
BDBM79181
PNG
(10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoro...)
Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
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Article
PubMed
n/an/a 5.00E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry, School of Pharmacy, Purdue University, West Lafayette, IN 47907-1333, USA.

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C


Bioorg Med Chem Lett 9: 2279-82 (1999)


Article DOI: 10.1016/s0960-894x(99)00375-3
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Rattus norvegicus)
BDBM50217024
PNG
(CHEMBL309186)
Show SMILES O=Cc1csc(c1)-c1cccs1
Show InChI InChI=1S/C9H6OS2/c10-5-7-4-9(12-6-7)8-2-1-3-11-8/h1-6H
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n/an/a 5.00E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry, School of Pharmacy, Purdue University, West Lafayette, IN 47907-1333, USA.

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C


Bioorg Med Chem Lett 9: 2279-82 (1999)


Article DOI: 10.1016/s0960-894x(99)00375-3
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Rattus norvegicus)
BDBM50217034
PNG
(CHEMBL310913)
Show SMILES OCc1csc(c1)-c1cccs1
Show InChI InChI=1S/C9H8OS2/c10-5-7-4-9(12-6-7)8-2-1-3-11-8/h1-4,6,10H,5H2
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n/an/a>1.00E+6n/an/an/an/an/an/a



Department of Medicinal Chemistry, School of Pharmacy, Purdue University, West Lafayette, IN 47907-1333, USA.

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C


Bioorg Med Chem Lett 9: 2279-82 (1999)


Article DOI: 10.1016/s0960-894x(99)00375-3
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Rattus norvegicus)
BDBM50217041
PNG
(CHEMBL73197)
Show SMILES OCc1csc(c1)-c1ccc(CO)s1
Show InChI InChI=1S/C10H10O2S2/c11-4-7-3-10(13-6-7)9-2-1-8(5-12)14-9/h1-3,6,11-12H,4-5H2
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n/an/a>1.00E+6n/an/an/an/an/an/a



Department of Medicinal Chemistry, School of Pharmacy, Purdue University, West Lafayette, IN 47907-1333, USA.

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C


Bioorg Med Chem Lett 9: 2279-82 (1999)


Article DOI: 10.1016/s0960-894x(99)00375-3
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Rattus norvegicus)
BDBM50217042
PNG
(CHEMBL75706)
Show SMILES O=Cc1csc(c1)-c1ccc(C=O)s1
Show InChI InChI=1S/C10H6O2S2/c11-4-7-3-10(13-6-7)9-2-1-8(5-12)14-9/h1-6H
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n/an/a 1.00E+6n/an/an/an/an/an/a



Department of Medicinal Chemistry, School of Pharmacy, Purdue University, West Lafayette, IN 47907-1333, USA.

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C


Bioorg Med Chem Lett 9: 2279-82 (1999)


Article DOI: 10.1016/s0960-894x(99)00375-3
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Rattus norvegicus)
BDBM50217035
PNG
(CHEBI:87611 | CHEMBL72211 | Thiophene-3-Carbaldehy...)
Show SMILES O=Cc1ccsc1
Show InChI InChI=1S/C5H4OS/c6-3-5-1-2-7-4-5/h1-4H
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n/an/a>4.00E+6n/an/an/an/an/an/a



Department of Medicinal Chemistry, School of Pharmacy, Purdue University, West Lafayette, IN 47907-1333, USA.

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C


Bioorg Med Chem Lett 9: 2279-82 (1999)


Article DOI: 10.1016/s0960-894x(99)00375-3
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Rattus norvegicus)
BDBM50217038
PNG
(CHEMBL76469)
Show SMILES OCc1ccsc1
Show InChI InChI=1S/C5H6OS/c6-3-5-1-2-7-4-5/h1-2,4,6H,3H2
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n/an/a>4.00E+6n/an/an/an/an/an/a



Department of Medicinal Chemistry, School of Pharmacy, Purdue University, West Lafayette, IN 47907-1333, USA.

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C


Bioorg Med Chem Lett 9: 2279-82 (1999)


Article DOI: 10.1016/s0960-894x(99)00375-3
More data for this
Ligand-Target Pair