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Compile Data Set for Download or QSAR

Found 174 hits with Last Name = 'prudhomme' and Initial = 'm'   
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 Chk1


(Homo sapiens (Human))
BDBM50268249
PNG
(12,13-[6-Deoxy-6-amino-4-O-methyl-D-mannopyranosyl...)
Show SMILES CO[C@@H]1[C@@H](CN)O[C@@H]2[C@H]([C@H]1O)n1c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C27H22N4O5/c1-35-24-15(10-28)36-27-22(23(24)32)30-13-8-4-2-6-11(13)16-18-19(26(34)29-25(18)33)17-12-7-3-5-9-14(12)31(27)21(17)20(16)30/h2-9,15,22-24,27,32H,10,28H2,1H3,(H,29,33,34)/t15-,22+,23-,24-,27-/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



Université Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human full-length CHK1 expressed in Sf9 cells


Eur J Med Chem 44: 2234-8 (2009)


Article DOI: 10.1016/j.ejmech.2008.05.023
BindingDB Entry DOI: 10.7270/Q2XP74R2
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase pim-3


(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 10n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of Pim-3


J Med Chem 52: 6369-81 (2009)


Article DOI: 10.1021/jm901018f
BindingDB Entry DOI: 10.7270/Q23F4PPS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(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 10n/an/an/an/an/an/a



Centre National de la Recherche Scientifique; Universite Blaise Pascal-Clermont-Ferrand II

US Patent


Assay Description
Inhibition assay using PIM-1, PIM-2 and PIM-3.


US Patent US8481586 (2013)


BindingDB Entry DOI: 10.7270/Q2ZC81GT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50216159
PNG
(5-hydroxy-pyrrolo[3',4':5,6]indolizino[8,7-b]indol...)
Show SMILES Oc1ccc2[nH]c3c4cccn4c4C(=O)NC(=O)c4c3c2c1
Show InChI InChI=1S/C16H9N3O3/c20-7-3-4-9-8(6-7)11-12-14(16(22)18-15(12)21)19-5-1-2-10(19)13(11)17-9/h1-6,17,20H,(H,18,21,22)
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n/an/a 16n/an/an/an/an/an/a



Université Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of human Chk1


Bioorg Med Chem 15: 5965-80 (2007)


Article DOI: 10.1016/j.bmc.2007.05.073
BindingDB Entry DOI: 10.7270/Q2KW5FR0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50220067
PNG
(11H-2,5,11-triaza-benzo[a]trindene-1,3,4,6-tetraon...)
Show SMILES O=c1[nH]c(=O)c2c1c1[nH]c3ccccc3c1c1c2c(=O)[nH]c1=O
Show InChI InChI=1S/C16H7N3O4/c20-13-8-7-5-3-1-2-4-6(5)17-12(7)11-10(9(8)14(21)18-13)15(22)19-16(11)23/h1-4,17H,(H,18,20,21)(H,19,22,23)
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n/an/a 20n/an/an/an/an/an/a



Université Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of human Chk1


Eur J Med Chem 43: 282-92 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.026
BindingDB Entry DOI: 10.7270/Q2H70FKP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50220067
PNG
(11H-2,5,11-triaza-benzo[a]trindene-1,3,4,6-tetraon...)
Show SMILES O=c1[nH]c(=O)c2c1c1[nH]c3ccccc3c1c1c2c(=O)[nH]c1=O
Show InChI InChI=1S/C16H7N3O4/c20-13-8-7-5-3-1-2-4-6(5)17-12(7)11-10(9(8)14(21)18-13)15(22)19-16(11)23/h1-4,17H,(H,18,20,21)(H,19,22,23)
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n/an/a 20n/an/an/an/an/an/a



Universit£ Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of human Chk1


Bioorg Med Chem 16: 4419-30 (2008)


Article DOI: 10.1016/j.bmc.2008.02.061
BindingDB Entry DOI: 10.7270/Q24Q7VV9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50220067
PNG
(11H-2,5,11-triaza-benzo[a]trindene-1,3,4,6-tetraon...)
Show SMILES O=c1[nH]c(=O)c2c1c1[nH]c3ccccc3c1c1c2c(=O)[nH]c1=O
Show InChI InChI=1S/C16H7N3O4/c20-13-8-7-5-3-1-2-4-6(5)17-12(7)11-10(9(8)14(21)18-13)15(22)19-16(11)23/h1-4,17H,(H,18,20,21)(H,19,22,23)
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n/an/a 20n/an/an/an/an/an/a



Université Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of human Chk1 expressed in Sf9 cells


J Med Chem 50: 4669-80 (2007)


Article DOI: 10.1021/jm070664k
BindingDB Entry DOI: 10.7270/Q2P55N7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50220064
PNG
(4,7,11-trihydroxybenzo[a]pyrrolo[3,4-c]carbazole-1...)
Show SMILES Oc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4c(O)ccc(O)c34)c2c1
Show InChI InChI=1S/C18H10N2O5/c21-6-1-2-8-7(5-6)11-14-15(18(25)20-17(14)24)12-9(22)3-4-10(23)13(12)16(11)19-8/h1-5,19,21-23H,(H,20,24,25)
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n/an/a 23n/an/an/an/an/an/a



Université Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of human Chk1 expressed in Sf9 cells


J Med Chem 50: 4669-80 (2007)


Article DOI: 10.1021/jm070664k
BindingDB Entry DOI: 10.7270/Q2P55N7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50376170
PNG
(CHEMBL265446)
Show SMILES O=C1NCc2c1c1C(=O)NC(=O)c1c1c2[nH]c2ccccc12
Show InChI InChI=1S/C16H9N3O3/c20-14-10-7(5-17-14)13-9(6-3-1-2-4-8(6)18-13)11-12(10)16(22)19-15(11)21/h1-4,18H,5H2,(H,17,20)(H,19,21,22)
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n/an/a 24n/an/an/an/an/an/a



Universit£ Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of human Chk1


Bioorg Med Chem 16: 4419-30 (2008)


Article DOI: 10.1016/j.bmc.2008.02.061
BindingDB Entry DOI: 10.7270/Q24Q7VV9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50216171
PNG
(CHEMBL393545 | pyrrolo[3',4':5,6]indolizino[8,7-b]...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1cccn21
Show InChI InChI=1S/C16H9N3O2/c20-15-12-11-8-4-1-2-5-9(8)17-13(11)10-6-3-7-19(10)14(12)16(21)18-15/h1-7,17H,(H,18,20,21)
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n/an/a 24n/an/an/an/an/an/a



Université Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of human Chk1


Bioorg Med Chem 15: 5965-80 (2007)


Article DOI: 10.1016/j.bmc.2007.05.073
BindingDB Entry DOI: 10.7270/Q2KW5FR0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50220072
PNG
(11-hydroxybenzo[a]pyrrolo[3,4-c]carbazole-1,3,4,7(...)
Show SMILES Oc1ccc2nc3c(c2c1)c1c(c2c3c(O)ccc2=O)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H8N2O5/c21-6-1-2-8-7(5-6)11-14-15(18(25)20-17(14)24)12-9(22)3-4-10(23)13(12)16(11)19-8/h1-5,21,23H,(H,20,24,25)
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n/an/a 27n/an/an/an/an/an/a



Université Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of human Chk1 expressed in Sf9 cells


J Med Chem 50: 4669-80 (2007)


Article DOI: 10.1021/jm070664k
BindingDB Entry DOI: 10.7270/Q2P55N7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50299245
PNG
(7-Bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carb...)
Show SMILES Brc1ccc2[nH]c3c(ccc4c(C=O)c[nH]c34)c2c1
Show InChI InChI=1S/C15H9BrN2O/c16-9-1-4-13-12(5-9)11-3-2-10-8(7-19)6-17-14(10)15(11)18-13/h1-7,17-18H
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US Patent
n/an/a 40n/an/an/an/an/an/a



Centre National de la Recherche Scientifique; Universite Blaise Pascal-Clermont-Ferrand II

US Patent


Assay Description
Inhibition assay using PIM-1, PIM-2 and PIM-3.


US Patent US8481586 (2013)


BindingDB Entry DOI: 10.7270/Q2ZC81GT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50299245
PNG
(7-Bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carb...)
Show SMILES Brc1ccc2[nH]c3c(ccc4c(C=O)c[nH]c34)c2c1
Show InChI InChI=1S/C15H9BrN2O/c16-9-1-4-13-12(5-9)11-3-2-10-8(7-19)6-17-14(10)15(11)18-13/h1-7,17-18H
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n/an/a 40n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of Pim-3


J Med Chem 52: 6369-81 (2009)


Article DOI: 10.1021/jm901018f
BindingDB Entry DOI: 10.7270/Q23F4PPS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50220066
PNG
(6,7-dihydro-1H-cyclopenta[a]pyrrolo[3,4-c]carbazol...)
Show SMILES O=C1CCc2c1c1C(=O)NC(=O)c1c1c2[nH]c2ccccc12
Show InChI InChI=1S/C17H10N2O3/c20-10-6-5-8-11(10)13-14(17(22)19-16(13)21)12-7-3-1-2-4-9(7)18-15(8)12/h1-4,18H,5-6H2,(H,19,21,22)
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n/an/a 43n/an/an/an/an/an/a



Université Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of human Chk1 expressed in Sf9 cells


J Med Chem 50: 4669-80 (2007)


Article DOI: 10.1021/jm070664k
BindingDB Entry DOI: 10.7270/Q2P55N7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50236805
PNG
(4,5-dihydro-11H-2,5,11-triaza-benzo[a]trindene-1,3...)
Show SMILES O=C1NCc2c3C(=O)NC(=O)c3c3[nH]c4ccccc4c3c12
Show InChI InChI=1S/C16H9N3O3/c20-14-10-7(5-17-14)11-12(16(22)19-15(11)21)13-9(10)6-3-1-2-4-8(6)18-13/h1-4,18H,5H2,(H,17,20)(H,19,21,22)
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n/an/a 50n/an/an/an/an/an/a



Université Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of human Chk1


Eur J Med Chem 43: 282-92 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.026
BindingDB Entry DOI: 10.7270/Q2H70FKP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50236805
PNG
(4,5-dihydro-11H-2,5,11-triaza-benzo[a]trindene-1,3...)
Show SMILES O=C1NCc2c3C(=O)NC(=O)c3c3[nH]c4ccccc4c3c12
Show InChI InChI=1S/C16H9N3O3/c20-14-10-7(5-17-14)11-12(16(22)19-15(11)21)13-9(10)6-3-1-2-4-8(6)18-13/h1-4,18H,5H2,(H,17,20)(H,19,21,22)
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n/an/a 51n/an/an/an/an/an/a



Universit£ Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of human Chk1


Bioorg Med Chem 16: 4419-30 (2008)


Article DOI: 10.1016/j.bmc.2008.02.061
BindingDB Entry DOI: 10.7270/Q24Q7VV9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50216161
PNG
(5-bromo-pyrrolo[3',4':51,3-(2H,8H)-dione,6]indoliz...)
Show SMILES Brc1ccc2[nH]c3c4cccn4c4C(=O)NC(=O)c4c3c2c1
Show InChI InChI=1S/C16H8BrN3O2/c17-7-3-4-9-8(6-7)11-12-14(16(22)19-15(12)21)20-5-1-2-10(20)13(11)18-9/h1-6,18H,(H,19,21,22)
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n/an/a 66n/an/an/an/an/an/a



Université Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of human Chk1


Bioorg Med Chem 15: 5965-80 (2007)


Article DOI: 10.1016/j.bmc.2007.05.073
BindingDB Entry DOI: 10.7270/Q2KW5FR0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50216165
PNG
(1,11-dihydro-1,3,5,11-tetraaza-benzo[a]trindene-4,...)
Show SMILES O=C1NC(=O)c2c1c1[nH]cnc1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C15H8N4O2/c20-14-9-8-6-3-1-2-4-7(6)18-12(8)13-11(16-5-17-13)10(9)15(21)19-14/h1-5,18H,(H,16,17)(H,19,20,21)
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n/an/a 80n/an/an/an/an/an/a



Université Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of human Chk1


Eur J Med Chem 43: 282-92 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.026
BindingDB Entry DOI: 10.7270/Q2H70FKP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50216165
PNG
(1,11-dihydro-1,3,5,11-tetraaza-benzo[a]trindene-4,...)
Show SMILES O=C1NC(=O)c2c1c1[nH]cnc1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C15H8N4O2/c20-14-9-8-6-3-1-2-4-7(6)18-12(8)13-11(16-5-17-13)10(9)15(21)19-14/h1-5,18H,(H,16,17)(H,19,20,21)
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n/an/a 80n/an/an/an/an/an/a



Université Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of human Chk1


Bioorg Med Chem 15: 5965-80 (2007)


Article DOI: 10.1016/j.bmc.2007.05.073
BindingDB Entry DOI: 10.7270/Q2KW5FR0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50216165
PNG
(1,11-dihydro-1,3,5,11-tetraaza-benzo[a]trindene-4,...)
Show SMILES O=C1NC(=O)c2c1c1[nH]cnc1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C15H8N4O2/c20-14-9-8-6-3-1-2-4-7(6)18-12(8)13-11(16-5-17-13)10(9)15(21)19-14/h1-5,18H,(H,16,17)(H,19,20,21)
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n/an/a 81n/an/an/an/an/an/a



Université Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of human Chk1 expressed in Sf9 cells


J Med Chem 50: 4669-80 (2007)


Article DOI: 10.1021/jm070664k
BindingDB Entry DOI: 10.7270/Q2P55N7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50216165
PNG
(1,11-dihydro-1,3,5,11-tetraaza-benzo[a]trindene-4,...)
Show SMILES O=C1NC(=O)c2c1c1[nH]cnc1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C15H8N4O2/c20-14-9-8-6-3-1-2-4-7(6)18-12(8)13-11(16-5-17-13)10(9)15(21)19-14/h1-5,18H,(H,16,17)(H,19,20,21)
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n/an/a 81n/an/an/an/an/an/a



Universit£ Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of human Chk1


Bioorg Med Chem 16: 4419-30 (2008)


Article DOI: 10.1016/j.bmc.2008.02.061
BindingDB Entry DOI: 10.7270/Q24Q7VV9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50216163
PNG
(5-chloro-pyrrolo[3',4':5,6]indolizino[8,7-b]indole...)
Show SMILES Clc1ccc2[nH]c3c4cccn4c4C(=O)NC(=O)c4c3c2c1
Show InChI InChI=1S/C16H8ClN3O2/c17-7-3-4-9-8(6-7)11-12-14(16(22)19-15(12)21)20-5-1-2-10(20)13(11)18-9/h1-6,18H,(H,19,21,22)
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n/an/a 89n/an/an/an/an/an/a



Université Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of human Chk1


Bioorg Med Chem 15: 5965-80 (2007)


Article DOI: 10.1016/j.bmc.2007.05.073
BindingDB Entry DOI: 10.7270/Q2KW5FR0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50216157
PNG
(11H-2,5,11,11b-Tetraaza-benzo[a]trindene-4,6-dione...)
Show SMILES O=C1NC(=O)c2c1c1cncn1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C15H8N4O2/c20-14-11-9-5-16-6-19(9)13-10(12(11)15(21)18-14)7-3-1-2-4-8(7)17-13/h1-6,17H,(H,18,20,21)
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n/an/a 100n/an/an/an/an/an/a



Universit£ Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of human Chk1


Bioorg Med Chem 16: 4419-30 (2008)


Article DOI: 10.1016/j.bmc.2008.02.061
BindingDB Entry DOI: 10.7270/Q24Q7VV9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50220075
PNG
(11-methylbenzo[a]pyrrolo[3,4-c]carbazole-1,3,4,7(2...)
Show SMILES Cc1ccc2nc3c(c2c1)c1c(c2c3c(O)ccc2=O)c(=O)[nH]c1=O
Show InChI InChI=1S/C19H10N2O4/c1-7-2-3-9-8(6-7)12-15-16(19(25)21-18(15)24)13-10(22)4-5-11(23)14(13)17(12)20-9/h2-6,23H,1H3,(H,21,24,25)
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n/an/a 107n/an/an/an/an/an/a



Université Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of human Chk1 expressed in Sf9 cells


J Med Chem 50: 4669-80 (2007)


Article DOI: 10.1021/jm070664k
BindingDB Entry DOI: 10.7270/Q2P55N7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(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 Universit£

Curated by ChEMBL


Assay Description
Inhibition of Pim-1


J Med Chem 52: 6369-81 (2009)


Article DOI: 10.1021/jm901018f
BindingDB Entry DOI: 10.7270/Q23F4PPS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(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



Centre National de la Recherche Scientifique; Universite Blaise Pascal-Clermont-Ferrand II

US Patent


Assay Description
Inhibition assay using PIM-1, PIM-2 and PIM-3.


US Patent US8481586 (2013)


BindingDB Entry DOI: 10.7270/Q2ZC81GT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50220065
PNG
(4,7-dihydroxy-11-methylbenzo[a]pyrrolo[3,4-c]carba...)
Show SMILES Cc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4c(O)ccc(O)c34)c2c1
Show InChI InChI=1S/C19H12N2O4/c1-7-2-3-9-8(6-7)12-15-16(19(25)21-18(15)24)13-10(22)4-5-11(23)14(13)17(12)20-9/h2-6,20,22-23H,1H3,(H,21,24,25)
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n/an/a 161n/an/an/an/an/an/a



Université Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of human Chk1 expressed in Sf9 cells


J Med Chem 50: 4669-80 (2007)


Article DOI: 10.1021/jm070664k
BindingDB Entry DOI: 10.7270/Q2P55N7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50299247
PNG
(1-(1,10-Dihydropyrrolo[2,3-a]carbazol-3-yl)-2,2,2-...)
Show SMILES FC(F)(F)C(=O)c1c[nH]c2c1ccc1c3ccccc3[nH]c21
Show InChI InChI=1S/C16H9F3N2O/c17-16(18,19)15(22)11-7-20-13-10(11)6-5-9-8-3-1-2-4-12(8)21-14(9)13/h1-7,20-21H
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n/an/a 170n/an/an/an/an/an/a



Centre National de la Recherche Scientifique; Universite Blaise Pascal-Clermont-Ferrand II

US Patent


Assay Description
Inhibition assay using PIM-1, PIM-2 and PIM-3.


US Patent US8481586 (2013)


BindingDB Entry DOI: 10.7270/Q2ZC81GT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50299247
PNG
(1-(1,10-Dihydropyrrolo[2,3-a]carbazol-3-yl)-2,2,2-...)
Show SMILES FC(F)(F)C(=O)c1c[nH]c2c1ccc1c3ccccc3[nH]c21
Show InChI InChI=1S/C16H9F3N2O/c17-16(18,19)15(22)11-7-20-13-10(11)6-5-9-8-3-1-2-4-12(8)21-14(9)13/h1-7,20-21H
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n/an/a 170n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of Pim-3


J Med Chem 52: 6369-81 (2009)


Article DOI: 10.1021/jm901018f
BindingDB Entry DOI: 10.7270/Q23F4PPS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50299250
PNG
(7-(2,4-Difluorophenyl)-1,10-dihydropyrrolo[2,3-a]c...)
Show SMILES Fc1ccc(c(F)c1)-c1ccc2[nH]c3c(ccc4c(C=O)c[nH]c34)c2c1
Show InChI InChI=1S/C21H12F2N2O/c22-13-2-3-14(18(23)8-13)11-1-6-19-17(7-11)16-5-4-15-12(10-26)9-24-20(15)21(16)25-19/h1-10,24-25H
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n/an/a 200n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of Pim-3


J Med Chem 52: 6369-81 (2009)


Article DOI: 10.1021/jm901018f
BindingDB Entry DOI: 10.7270/Q23F4PPS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50299250
PNG
(7-(2,4-Difluorophenyl)-1,10-dihydropyrrolo[2,3-a]c...)
Show SMILES Fc1ccc(c(F)c1)-c1ccc2[nH]c3c(ccc4c(C=O)c[nH]c34)c2c1
Show InChI InChI=1S/C21H12F2N2O/c22-13-2-3-14(18(23)8-13)11-1-6-19-17(7-11)16-5-4-15-12(10-26)9-24-20(15)21(16)25-19/h1-10,24-25H
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n/an/a 200n/an/an/an/an/an/a



Centre National de la Recherche Scientifique; Universite Blaise Pascal-Clermont-Ferrand II

US Patent


Assay Description
Inhibition assay using PIM-1, PIM-2 and PIM-3.


US Patent US8481586 (2013)


BindingDB Entry DOI: 10.7270/Q2ZC81GT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50299248
PNG
(1,10-Dihydropyrrolo[2,3-a]carbazole-3-carboxamide ...)
Show SMILES NC(=O)c1c[nH]c2c1ccc1c3ccccc3[nH]c21
Show InChI InChI=1S/C15H11N3O/c16-15(19)11-7-17-13-10(11)6-5-9-8-3-1-2-4-12(8)18-14(9)13/h1-7,17-18H,(H2,16,19)
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n/an/a 210n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of Pim-3


J Med Chem 52: 6369-81 (2009)


Article DOI: 10.1021/jm901018f
BindingDB Entry DOI: 10.7270/Q23F4PPS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50299248
PNG
(1,10-Dihydropyrrolo[2,3-a]carbazole-3-carboxamide ...)
Show SMILES NC(=O)c1c[nH]c2c1ccc1c3ccccc3[nH]c21
Show InChI InChI=1S/C15H11N3O/c16-15(19)11-7-17-13-10(11)6-5-9-8-3-1-2-4-12(8)18-14(9)13/h1-7,17-18H,(H2,16,19)
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n/an/a 210n/an/an/an/an/an/a



Centre National de la Recherche Scientifique; Universite Blaise Pascal-Clermont-Ferrand II

US Patent


Assay Description
Inhibition assay using PIM-1, PIM-2 and PIM-3.


US Patent US8481586 (2013)


BindingDB Entry DOI: 10.7270/Q2ZC81GT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50251213
PNG
(6H-2-N-hydroxymethyl-5-ethoxycarbonyl-pyrrolo-[3,4...)
Show SMILES CCOC(=O)c1cc2C(=O)N(CO)C(=O)c2c2c3ccccc3[nH]c12
Show InChI InChI=1S/C18H14N2O5/c1-2-25-18(24)11-7-10-14(17(23)20(8-21)16(10)22)13-9-5-3-4-6-12(9)19-15(11)13/h3-7,19,21H,2,8H2,1H3
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n/an/a 210n/an/an/an/an/an/a



Université Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of human Chk1


Eur J Med Chem 43: 282-92 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.026
BindingDB Entry DOI: 10.7270/Q2H70FKP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50220074
PNG
(CHEMBL243930 | benzo[a]pyrrolo[3,4-c]carbazole-1,3...)
Show SMILES Oc1ccc(=O)c2c3c(c4c5ccccc5nc4c12)c(=O)[nH]c3=O
Show InChI InChI=1S/C18H8N2O4/c21-9-5-6-10(22)13-12(9)15-14(17(23)20-18(15)24)11-7-3-1-2-4-8(7)19-16(11)13/h1-6,22H,(H,20,23,24)
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n/an/a 269n/an/an/an/an/an/a



Université Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of human Chk1 expressed in Sf9 cells


J Med Chem 50: 4669-80 (2007)


Article DOI: 10.1021/jm070664k
BindingDB Entry DOI: 10.7270/Q2P55N7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50220074
PNG
(CHEMBL243930 | benzo[a]pyrrolo[3,4-c]carbazole-1,3...)
Show SMILES Oc1ccc(=O)c2c3c(c4c5ccccc5nc4c12)c(=O)[nH]c3=O
Show InChI InChI=1S/C18H8N2O4/c21-9-5-6-10(22)13-12(9)15-14(17(23)20-18(15)24)11-7-3-1-2-4-8(7)19-16(11)13/h1-6,22H,(H,20,23,24)
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n/an/a 269n/an/an/an/an/an/a



Universit£ Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of human Chk1


Bioorg Med Chem 16: 4419-30 (2008)


Article DOI: 10.1016/j.bmc.2008.02.061
BindingDB Entry DOI: 10.7270/Q24Q7VV9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50220068
PNG
(4,7-dihydroxybenzo[a]pyrrolo[3,4-c]carbazole-1,3(2...)
Show SMILES Oc1ccc(O)c2c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c12
Show InChI InChI=1S/C18H10N2O4/c21-9-5-6-10(22)13-12(9)15-14(17(23)20-18(15)24)11-7-3-1-2-4-8(7)19-16(11)13/h1-6,19,21-22H,(H,20,23,24)
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n/an/a 311n/an/an/an/an/an/a



Université Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of human Chk1 expressed in Sf9 cells


J Med Chem 50: 4669-80 (2007)


Article DOI: 10.1021/jm070664k
BindingDB Entry DOI: 10.7270/Q2P55N7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50220068
PNG
(4,7-dihydroxybenzo[a]pyrrolo[3,4-c]carbazole-1,3(2...)
Show SMILES Oc1ccc(O)c2c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c12
Show InChI InChI=1S/C18H10N2O4/c21-9-5-6-10(22)13-12(9)15-14(17(23)20-18(15)24)11-7-3-1-2-4-8(7)19-16(11)13/h1-6,19,21-22H,(H,20,23,24)
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n/an/a 311n/an/an/an/an/an/a



Universit£ Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of human Chk1


Bioorg Med Chem 16: 4419-30 (2008)


Article DOI: 10.1016/j.bmc.2008.02.061
BindingDB Entry DOI: 10.7270/Q24Q7VV9
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50216165
PNG
(1,11-dihydro-1,3,5,11-tetraaza-benzo[a]trindene-4,...)
Show SMILES O=C1NC(=O)c2c1c1[nH]cnc1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C15H8N4O2/c20-14-9-8-6-3-1-2-4-7(6)18-12(8)13-11(16-5-17-13)10(9)15(21)19-14/h1-5,18H,(H,16,17)(H,19,20,21)
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n/an/a 350n/an/an/an/an/an/a



Université Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of Src


J Med Chem 50: 4669-80 (2007)


Article DOI: 10.1021/jm070664k
BindingDB Entry DOI: 10.7270/Q2P55N7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50251201
PNG
(6,11-Dihydro-5H-2,5,11-triaza-benzo[a]trindene-1,3...)
Show SMILES O=C1NCc2c1c1C(=O)NC(=O)c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C16H9N3O3/c20-14-10-7(5-17-14)9-6-3-1-2-4-8(6)18-13(9)12-11(10)15(21)19-16(12)22/h1-4,18H,5H2,(H,17,20)(H,19,21,22)
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n/an/a 370n/an/an/an/an/an/a



Université Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of human Chk1


Eur J Med Chem 43: 282-92 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.026
BindingDB Entry DOI: 10.7270/Q2H70FKP
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50295872
PNG
(5-Iodo-4-(1-Methyl-1H-indol-3-yl)pyrimidin-2-amine...)
Show SMILES Cn1cc(-c2nc(N)ncc2I)c2ccccc12
Show InChI InChI=1S/C13H11IN4/c1-18-7-9(8-4-2-3-5-11(8)18)12-10(14)6-16-13(15)17-12/h2-7H,1H3,(H2,15,16,17)
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n/an/a 400n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A expressed in Escherichia coli


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50216157
PNG
(11H-2,5,11,11b-Tetraaza-benzo[a]trindene-4,6-dione...)
Show SMILES O=C1NC(=O)c2c1c1cncn1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C15H8N4O2/c20-14-11-9-5-16-6-19(9)13-10(12(11)15(21)18-14)7-3-1-2-4-8(7)17-13/h1-6,17H,(H,18,20,21)
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n/an/a 440n/an/an/an/an/an/a



Université Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of human Chk1 expressed in Sf9 cells


J Med Chem 50: 4669-80 (2007)


Article DOI: 10.1021/jm070664k
BindingDB Entry DOI: 10.7270/Q2P55N7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50216157
PNG
(11H-2,5,11,11b-Tetraaza-benzo[a]trindene-4,6-dione...)
Show SMILES O=C1NC(=O)c2c1c1cncn1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C15H8N4O2/c20-14-11-9-5-16-6-19(9)13-10(12(11)15(21)18-14)7-3-1-2-4-8(7)17-13/h1-6,17H,(H,18,20,21)
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n/an/a 440n/an/an/an/an/an/a



Université Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of human Chk1


Bioorg Med Chem 15: 5965-80 (2007)


Article DOI: 10.1016/j.bmc.2007.05.073
BindingDB Entry DOI: 10.7270/Q2KW5FR0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50299246
PNG
(7-Bromo-1,10-dihydropyrrolo[2,3-a]carbazole | CHEM...)
Show SMILES Brc1ccc2[nH]c3c(ccc4cc[nH]c34)c2c1
Show InChI InChI=1S/C14H9BrN2/c15-9-2-4-12-11(7-9)10-3-1-8-5-6-16-13(8)14(10)17-12/h1-7,16-17H
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n/an/a 440n/an/an/an/an/an/a



Centre National de la Recherche Scientifique; Universite Blaise Pascal-Clermont-Ferrand II

US Patent


Assay Description
Inhibition assay using PIM-1, PIM-2 and PIM-3.


US Patent US8481586 (2013)


BindingDB Entry DOI: 10.7270/Q2ZC81GT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50216157
PNG
(11H-2,5,11,11b-Tetraaza-benzo[a]trindene-4,6-dione...)
Show SMILES O=C1NC(=O)c2c1c1cncn1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C15H8N4O2/c20-14-11-9-5-16-6-19(9)13-10(12(11)15(21)18-14)7-3-1-2-4-8(7)17-13/h1-6,17H,(H,18,20,21)
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n/an/a 440n/an/an/an/an/an/a



Université Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of human Chk1


Eur J Med Chem 43: 282-92 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.026
BindingDB Entry DOI: 10.7270/Q2H70FKP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50299246
PNG
(7-Bromo-1,10-dihydropyrrolo[2,3-a]carbazole | CHEM...)
Show SMILES Brc1ccc2[nH]c3c(ccc4cc[nH]c34)c2c1
Show InChI InChI=1S/C14H9BrN2/c15-9-2-4-12-11(7-9)10-3-1-8-5-6-16-13(8)14(10)17-12/h1-7,16-17H
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n/an/a 440n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of Pim-3


J Med Chem 52: 6369-81 (2009)


Article DOI: 10.1021/jm901018f
BindingDB Entry DOI: 10.7270/Q23F4PPS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(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



Centre National de la Recherche Scientifique; Universite Blaise Pascal-Clermont-Ferrand II

US Patent


Assay Description
Inhibition assay using PIM-1, PIM-2 and PIM-3.


US Patent US8481586 (2013)


BindingDB Entry DOI: 10.7270/Q2ZC81GT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(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 Universit£

Curated by ChEMBL


Assay Description
Inhibition of Pim-2


J Med Chem 52: 6369-81 (2009)


Article DOI: 10.1021/jm901018f
BindingDB Entry DOI: 10.7270/Q23F4PPS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50299245
PNG
(7-Bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carb...)
Show SMILES Brc1ccc2[nH]c3c(ccc4c(C=O)c[nH]c34)c2c1
Show InChI InChI=1S/C15H9BrN2O/c16-9-1-4-13-12(5-9)11-3-2-10-8(7-19)6-17-14(10)15(11)18-13/h1-7,17-18H
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n/an/a 570n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of Pim-1


J Med Chem 52: 6369-81 (2009)


Article DOI: 10.1021/jm901018f
BindingDB Entry DOI: 10.7270/Q23F4PPS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50299245
PNG
(7-Bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carb...)
Show SMILES Brc1ccc2[nH]c3c(ccc4c(C=O)c[nH]c34)c2c1
Show InChI InChI=1S/C15H9BrN2O/c16-9-1-4-13-12(5-9)11-3-2-10-8(7-19)6-17-14(10)15(11)18-13/h1-7,17-18H
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n/an/a 570n/an/an/an/an/an/a



Centre National de la Recherche Scientifique; Universite Blaise Pascal-Clermont-Ferrand II

US Patent


Assay Description
Inhibition assay using PIM-1, PIM-2 and PIM-3.


US Patent US8481586 (2013)


BindingDB Entry DOI: 10.7270/Q2ZC81GT
More data for this
Ligand-Target Pair
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