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PubMed code 28045490

Compile data set for download or QSAR
Found 7 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
Protein kinase C iota (PKCι)


(Homo sapiens (Human))
BDBM218807
PNG
(PS432)
Show SMILES CCOC(=O)C1=C(O)C(=O)N(C1c1ccc(o1)-c1ccc(Cl)cc1)c1nc2ccc(C)cc2s1
Show InChI InChI=1S/C25H19ClN2O5S/c1-3-32-24(31)20-21(18-11-10-17(33-18)14-5-7-15(26)8-6-14)28(23(30)22(20)29)25-27-16-9-4-13(2)12-19(16)34-25/h4-12,21,29H,3H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.69E+4n/an/an/an/a7.4n/a



Universitätsklinikum Frankfurt



Assay Description
Interaction assays were performed using the Alpha-Screen (amplified luminescent proximity homogeneous assay) technology, as described previously.19,2...


ACS Chem Biol 12: 564-573 (2017)


Article DOI: 10.1021/acschembio.6b00827
BindingDB Entry DOI: 10.7270/Q2J96575
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM218806
PNG
(PS267)
Show SMILES CCOC(=O)C1=C(O)C(=O)N(C1c1cccs1)c1nc2ccc(Cl)cc2s1
Show InChI InChI=1S/C18H13ClN2O4S2/c1-2-25-17(24)13-14(11-4-3-7-26-11)21(16(23)15(13)22)18-20-10-6-5-9(19)8-12(10)27-18/h3-8,14,22H,2H2,1H3
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.78E+4n/an/an/an/a7.4n/a



Universitätsklinikum Frankfurt



Assay Description
Interaction assays were performed using the Alpha-Screen (amplified luminescent proximity homogeneous assay) technology, as described previously.19,2...


ACS Chem Biol 12: 564-573 (2017)


Article DOI: 10.1021/acschembio.6b00827
BindingDB Entry DOI: 10.7270/Q2J96575
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM218807
PNG
(PS432)
Show SMILES CCOC(=O)C1=C(O)C(=O)N(C1c1ccc(o1)-c1ccc(Cl)cc1)c1nc2ccc(C)cc2s1
Show InChI InChI=1S/C25H19ClN2O5S/c1-3-32-24(31)20-21(18-11-10-17(33-18)14-5-7-15(26)8-6-14)28(23(30)22(20)29)25-27-16-9-4-13(2)12-19(16)34-25/h4-12,21,29H,3H2,1-2H3
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.85E+4n/an/an/an/a7.4n/a



Universitätsklinikum Frankfurt



Assay Description
Interaction assays were performed using the Alpha-Screen (amplified luminescent proximity homogeneous assay) technology, as described previously.19,2...


ACS Chem Biol 12: 564-573 (2017)


Article DOI: 10.1021/acschembio.6b00827
BindingDB Entry DOI: 10.7270/Q2J96575
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM218805
PNG
(PS212)
Show SMILES CCOC(=O)C1=C(O)C(=O)N(C1c1ccc(Cl)cc1)c1nc2ccc(Cl)cc2[nH]1
Show InChI InChI=1S/C20H15Cl2N3O4/c1-2-29-19(28)15-16(10-3-5-11(21)6-4-10)25(18(27)17(15)26)20-23-13-8-7-12(22)9-14(13)24-20/h3-9,16,26H,2H2,1H3,(H,23,24)
PDB
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PC cid
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UniChem
Article
PubMed
n/an/a 2.05E+4n/an/an/an/a7.4n/a



Universitätsklinikum Frankfurt



Assay Description
Interaction assays were performed using the Alpha-Screen (amplified luminescent proximity homogeneous assay) technology, as described previously.19,2...


ACS Chem Biol 12: 564-573 (2017)


Article DOI: 10.1021/acschembio.6b00827
BindingDB Entry DOI: 10.7270/Q2J96575
More data for this
Ligand-Target Pair
Protein kinase C iota (PKCι)


(Homo sapiens (Human))
BDBM218806
PNG
(PS267)
Show SMILES CCOC(=O)C1=C(O)C(=O)N(C1c1cccs1)c1nc2ccc(Cl)cc2s1
Show InChI InChI=1S/C18H13ClN2O4S2/c1-2-25-17(24)13-14(11-4-3-7-26-11)21(16(23)15(13)22)18-20-10-6-5-9(19)8-12(10)27-18/h3-8,14,22H,2H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.64E+4n/an/an/an/a7.4n/a



Universitätsklinikum Frankfurt



Assay Description
Interaction assays were performed using the Alpha-Screen (amplified luminescent proximity homogeneous assay) technology, as described previously.19,2...


ACS Chem Biol 12: 564-573 (2017)


Article DOI: 10.1021/acschembio.6b00827
BindingDB Entry DOI: 10.7270/Q2J96575
More data for this
Ligand-Target Pair
Protein kinase C iota (PKCι)


(Homo sapiens (Human))
BDBM218805
PNG
(PS212)
Show SMILES CCOC(=O)C1=C(O)C(=O)N(C1c1ccc(Cl)cc1)c1nc2ccc(Cl)cc2[nH]1
Show InChI InChI=1S/C20H15Cl2N3O4/c1-2-29-19(28)15-16(10-3-5-11(21)6-4-10)25(18(27)17(15)26)20-23-13-8-7-12(22)9-14(13)24-20/h3-9,16,26H,2H2,1H3,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.32E+4n/an/an/an/a7.4n/a



Universitätsklinikum Frankfurt



Assay Description
Interaction assays were performed using the Alpha-Screen (amplified luminescent proximity homogeneous assay) technology, as described previously.19,2...


ACS Chem Biol 12: 564-573 (2017)


Article DOI: 10.1021/acschembio.6b00827
BindingDB Entry DOI: 10.7270/Q2J96575
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM218804
PNG
(PS312)
Show SMILES CCOC(=O)C1=C(O)C(=O)N(C1c1ccccc1)c1nc2ccc(Cl)cc2[nH]1
Show InChI InChI=1S/C20H16ClN3O4/c1-2-28-19(27)15-16(11-6-4-3-5-7-11)24(18(26)17(15)25)20-22-13-9-8-12(21)10-14(13)23-20/h3-10,16,25H,2H2,1H3,(H,22,23)
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.41E+4n/an/an/an/a7.4n/a



Universitätsklinikum Frankfurt



Assay Description
Interaction assays were performed using the Alpha-Screen (amplified luminescent proximity homogeneous assay) technology, as described previously.19,2...


ACS Chem Biol 12: 564-573 (2017)


Article DOI: 10.1021/acschembio.6b00827
BindingDB Entry DOI: 10.7270/Q2J96575
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%