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PubMed code 20728368

Compile data set for download or QSAR
Found 16 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 PIM


(Homo sapiens (Human))
BDBM50326438
PNG
(9-trifluoromethyl-1,10-dihydropyrrolo[2,3-a]carbaz...)
Show SMILES FC(F)(F)c1cccc2c1[nH]c1c2ccc2c(C=O)c[nH]c12
Show InChI InChI=1S/C16H9F3N2O/c17-16(18,19)12-3-1-2-10-11-5-4-9-8(7-22)6-20-14(9)15(11)21-13(10)12/h1-7,20-21H
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n/an/a 6n/an/an/an/an/an/a



Clermont Université

Curated by ChEMBL


Assay Description
Inhibition of human GST fused Pim3 expressed in Escherichia coli after 30 mins


Bioorg Med Chem 18: 6865-73 (2010)


Article DOI: 10.1016/j.bmc.2010.07.036
BindingDB Entry DOI: 10.7270/Q2PK0GBZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50326436
PNG
(6-Bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carb...)
Show SMILES Brc1cccc2[nH]c3c(ccc4c(C=O)c[nH]c34)c12
Show InChI InChI=1S/C15H9BrN2O/c16-11-2-1-3-12-13(11)10-5-4-9-8(7-19)6-17-14(9)15(10)18-12/h1-7,17-18H
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n/an/a 6.80n/an/an/an/an/an/a



Clermont Université

Curated by ChEMBL


Assay Description
Inhibition of human GST fused Pim1 expressed in Escherichia coli after 30 mins


Bioorg Med Chem 18: 6865-73 (2010)


Article DOI: 10.1016/j.bmc.2010.07.036
BindingDB Entry DOI: 10.7270/Q2PK0GBZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50299249
PNG
(1,10-Dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde...)
Show SMILES O=Cc1c[nH]c2c1ccc1c3ccccc3[nH]c21
Show InChI InChI=1S/C15H10N2O/c18-8-9-7-16-14-10(9)5-6-12-11-3-1-2-4-13(11)17-15(12)14/h1-8,16-17H
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PubMed
n/an/a 10n/an/an/an/an/an/a



Clermont Université

Curated by ChEMBL


Assay Description
Inhibition of human GST fused Pim3 expressed in Escherichia coli after 30 mins


Bioorg Med Chem 18: 6865-73 (2010)


Article DOI: 10.1016/j.bmc.2010.07.036
BindingDB Entry DOI: 10.7270/Q2PK0GBZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50326436
PNG
(6-Bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carb...)
Show SMILES Brc1cccc2[nH]c3c(ccc4c(C=O)c[nH]c34)c12
Show InChI InChI=1S/C15H9BrN2O/c16-11-2-1-3-12-13(11)10-5-4-9-8(7-19)6-17-14(9)15(10)18-12/h1-7,17-18H
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n/an/a 12.4n/an/an/an/an/an/a



Clermont Université

Curated by ChEMBL


Assay Description
Inhibition of human GST fused Pim3 expressed in Escherichia coli after 30 mins


Bioorg Med Chem 18: 6865-73 (2010)


Article DOI: 10.1016/j.bmc.2010.07.036
BindingDB Entry DOI: 10.7270/Q2PK0GBZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50326438
PNG
(9-trifluoromethyl-1,10-dihydropyrrolo[2,3-a]carbaz...)
Show SMILES FC(F)(F)c1cccc2c1[nH]c1c2ccc2c(C=O)c[nH]c12
Show InChI InChI=1S/C16H9F3N2O/c17-16(18,19)12-3-1-2-10-11-5-4-9-8(7-22)6-20-14(9)15(11)21-13(10)12/h1-7,20-21H
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n/an/a 18n/an/an/an/an/an/a



Clermont Université

Curated by ChEMBL


Assay Description
Inhibition of human GST fused Pim1 expressed in Escherichia coli after 30 mins


Bioorg Med Chem 18: 6865-73 (2010)


Article DOI: 10.1016/j.bmc.2010.07.036
BindingDB Entry DOI: 10.7270/Q2PK0GBZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50326441
PNG
(9-Bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carb...)
Show SMILES Brc1cccc2c1[nH]c1c2ccc2c(C=O)c[nH]c12
Show InChI InChI=1S/C15H9BrN2O/c16-12-3-1-2-10-11-5-4-9-8(7-19)6-17-14(9)15(11)18-13(10)12/h1-7,17-18H
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n/an/a 24n/an/an/an/an/an/a



Clermont Université

Curated by ChEMBL


Assay Description
Inhibition of human GST fused Pim3 expressed in Escherichia coli after 30 mins


Bioorg Med Chem 18: 6865-73 (2010)


Article DOI: 10.1016/j.bmc.2010.07.036
BindingDB Entry DOI: 10.7270/Q2PK0GBZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50326439
PNG
(CHEMBL1243128 | Methyl 3-formyl-1,10-dihydropyrrol...)
Show SMILES COC(=O)c1cccc2c3ccc4c(C=O)c[nH]c4c3[nH]c12
Show InChI InChI=1S/C17H12N2O3/c1-22-17(21)13-4-2-3-11-12-6-5-10-9(8-20)7-18-15(10)16(12)19-14(11)13/h2-8,18-19H,1H3
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n/an/a 30n/an/an/an/an/an/a



Clermont Université

Curated by ChEMBL


Assay Description
Inhibition of human GST fused Pim1 expressed in Escherichia coli after 30 mins


Bioorg Med Chem 18: 6865-73 (2010)


Article DOI: 10.1016/j.bmc.2010.07.036
BindingDB Entry DOI: 10.7270/Q2PK0GBZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50326441
PNG
(9-Bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carb...)
Show SMILES Brc1cccc2c1[nH]c1c2ccc2c(C=O)c[nH]c12
Show InChI InChI=1S/C15H9BrN2O/c16-12-3-1-2-10-11-5-4-9-8(7-19)6-17-14(9)15(11)18-13(10)12/h1-7,17-18H
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n/an/a 31n/an/an/an/an/an/a



Clermont Université

Curated by ChEMBL


Assay Description
Inhibition of human GST fused Pim1 expressed in Escherichia coli after 30 mins


Bioorg Med Chem 18: 6865-73 (2010)


Article DOI: 10.1016/j.bmc.2010.07.036
BindingDB Entry DOI: 10.7270/Q2PK0GBZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50326439
PNG
(CHEMBL1243128 | Methyl 3-formyl-1,10-dihydropyrrol...)
Show SMILES COC(=O)c1cccc2c3ccc4c(C=O)c[nH]c4c3[nH]c12
Show InChI InChI=1S/C17H12N2O3/c1-22-17(21)13-4-2-3-11-12-6-5-10-9(8-20)7-18-15(10)16(12)19-14(11)13/h2-8,18-19H,1H3
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n/an/a 40n/an/an/an/an/an/a



Clermont Université

Curated by ChEMBL


Assay Description
Inhibition of human GST fused Pim3 expressed in Escherichia coli after 30 mins


Bioorg Med Chem 18: 6865-73 (2010)


Article DOI: 10.1016/j.bmc.2010.07.036
BindingDB Entry DOI: 10.7270/Q2PK0GBZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50326440
PNG
(9-Ethyl-1,10-dihydropyrrolo[2,3-a]carbazole-3-carb...)
Show SMILES CCc1cccc2c1[nH]c1c2ccc2c(C=O)c[nH]c12
Show InChI InChI=1S/C17H14N2O/c1-2-10-4-3-5-13-14-7-6-12-11(9-20)8-18-16(12)17(14)19-15(10)13/h3-9,18-19H,2H2,1H3
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n/an/a 60n/an/an/an/an/an/a



Clermont Université

Curated by ChEMBL


Assay Description
Inhibition of human GST fused Pim3 expressed in Escherichia coli after 30 mins


Bioorg Med Chem 18: 6865-73 (2010)


Article DOI: 10.1016/j.bmc.2010.07.036
BindingDB Entry DOI: 10.7270/Q2PK0GBZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50326440
PNG
(9-Ethyl-1,10-dihydropyrrolo[2,3-a]carbazole-3-carb...)
Show SMILES CCc1cccc2c1[nH]c1c2ccc2c(C=O)c[nH]c12
Show InChI InChI=1S/C17H14N2O/c1-2-10-4-3-5-13-14-7-6-12-11(9-20)8-18-16(12)17(14)19-15(10)13/h3-9,18-19H,2H2,1H3
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n/an/a 66n/an/an/an/an/an/a



Clermont Université

Curated by ChEMBL


Assay Description
Inhibition of human GST fused Pim1 expressed in Escherichia coli after 30 mins


Bioorg Med Chem 18: 6865-73 (2010)


Article DOI: 10.1016/j.bmc.2010.07.036
BindingDB Entry DOI: 10.7270/Q2PK0GBZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50326437
PNG
(8-Bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carb...)
Show SMILES Brc1ccc2c(c1)[nH]c1c2ccc2c(C=O)c[nH]c12
Show InChI InChI=1S/C15H9BrN2O/c16-9-1-2-11-12-4-3-10-8(7-19)6-17-14(10)15(12)18-13(11)5-9/h1-7,17-18H
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n/an/a 90n/an/an/an/an/an/a



Clermont Université

Curated by ChEMBL


Assay Description
Inhibition of human GST fused Pim3 expressed in Escherichia coli after 30 mins


Bioorg Med Chem 18: 6865-73 (2010)


Article DOI: 10.1016/j.bmc.2010.07.036
BindingDB Entry DOI: 10.7270/Q2PK0GBZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50326442
PNG
(8-Methyl-1,10-dihydropyrrolo[2,3-a]carbazole-3-car...)
Show SMILES Cc1ccc2c(c1)[nH]c1c2ccc2c(C=O)c[nH]c12
Show InChI InChI=1S/C16H12N2O/c1-9-2-3-12-13-5-4-11-10(8-19)7-17-15(11)16(13)18-14(12)6-9/h2-8,17-18H,1H3
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n/an/a 117n/an/an/an/an/an/a



Clermont Université

Curated by ChEMBL


Assay Description
Inhibition of human GST fused Pim3 expressed in Escherichia coli after 30 mins


Bioorg Med Chem 18: 6865-73 (2010)


Article DOI: 10.1016/j.bmc.2010.07.036
BindingDB Entry DOI: 10.7270/Q2PK0GBZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50299249
PNG
(1,10-Dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde...)
Show SMILES O=Cc1c[nH]c2c1ccc1c3ccccc3[nH]c21
Show InChI InChI=1S/C15H10N2O/c18-8-9-7-16-14-10(9)5-6-12-11-3-1-2-4-13(11)17-15(12)14/h1-8,16-17H
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n/an/a 120n/an/an/an/an/an/a



Clermont Université

Curated by ChEMBL


Assay Description
Inhibition of human GST fused Pim1 expressed in Escherichia coli after 30 mins


Bioorg Med Chem 18: 6865-73 (2010)


Article DOI: 10.1016/j.bmc.2010.07.036
BindingDB Entry DOI: 10.7270/Q2PK0GBZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PIM


(Homo sapiens (human))
BDBM50326436
PNG
(6-Bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carb...)
Show SMILES Brc1cccc2[nH]c3c(ccc4c(C=O)c[nH]c34)c12
Show InChI InChI=1S/C15H9BrN2O/c16-11-2-1-3-12-13(11)10-5-4-9-8(7-19)6-17-14(9)15(10)18-12/h1-7,17-18H
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n/an/a 131n/an/an/an/an/an/a



Clermont Université

Curated by ChEMBL


Assay Description
Inhibition of human GST fused Pim2 expressed in Escherichia coli after 30 mins


Bioorg Med Chem 18: 6865-73 (2010)


Article DOI: 10.1016/j.bmc.2010.07.036
BindingDB Entry DOI: 10.7270/Q2PK0GBZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (human))
BDBM50299249
PNG
(1,10-Dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde...)
Show SMILES O=Cc1c[nH]c2c1ccc1c3ccccc3[nH]c21
Show InChI InChI=1S/C15H10N2O/c18-8-9-7-16-14-10(9)5-6-12-11-3-1-2-4-13(11)17-15(12)14/h1-8,16-17H
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n/an/a 510n/an/an/an/an/an/a



Clermont Université

Curated by ChEMBL


Assay Description
Inhibition of human GST fused Pim2 expressed in Escherichia coli after 30 mins


Bioorg Med Chem 18: 6865-73 (2010)


Article DOI: 10.1016/j.bmc.2010.07.036
BindingDB Entry DOI: 10.7270/Q2PK0GBZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%