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PubMed code 17722905

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 Chk1


(Homo sapiens)
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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PubMed
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)
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)
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 Chk1


(Homo sapiens)
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)
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)
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 Chk1


(Homo sapiens)
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 Chk1


(Homo sapiens)
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)
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
VEGF-receptor 2 and 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)
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)
BDBM50220063
PNG
(4-hydroxy-11-methyl-7-hydroxysulfonyloxybenzo[a]py...)
Show SMILES Cc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4c(O)ccc(OS(O)(=O)=O)c34)c2c1
Show InChI InChI=1S/C19H12N2O7S/c1-7-2-3-9-8(6-7)12-15-16(19(24)21-18(15)23)13-10(22)4-5-11(28-29(25,26)27)14(13)17(12)20-9/h2-6,20,22H,1H3,(H,21,23,24)(H,25,26,27)
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n/an/a 893n/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)
BDBM50220073
PNG
(4-hydroxybenzo[a]pyrrolo[3,4-c]carbazole-1,3(2H,8H...)
Show SMILES Oc1cccc2c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c12
Show InChI InChI=1S/C18H10N2O3/c21-11-7-3-5-9-12(11)14-15(18(23)20-17(14)22)13-8-4-1-2-6-10(8)19-16(9)13/h1-7,19,21H,(H,20,22,23)
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n/an/a 904n/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)
BDBM50220069
PNG
(4-hydroxy-7-hydroxysulfonyloxybenzo[a]pyrrolo[3,4-...)
Show SMILES Oc1ccc(OS(O)(=O)=O)c2c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c12
Show InChI InChI=1S/C18H10N2O7S/c21-9-5-6-10(27-28(24,25)26)13-12(9)15-14(17(22)20-18(15)23)11-7-3-1-2-4-8(7)19-16(11)13/h1-6,19,21H,(H,20,22,23)(H,24,25,26)
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n/an/a 1.79E+3n/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)
BDBM50220070
PNG
(7-tert-butylcarbonyloxy-4-hydroxybenzo[a]pyrrolo[3...)
Show SMILES CC(C)(C)C(=O)Oc1ccc(O)c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12
Show InChI InChI=1S/C23H18N2O5/c1-23(2,3)22(29)30-13-9-8-12(26)15-16(13)19-14(10-6-4-5-7-11(10)24-19)17-18(15)21(28)25-20(17)27/h4-9,24,26H,1-3H3,(H,25,27,28)
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n/an/a 3.70E+3n/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
VEGF-receptor 2 and tyrosine-protein kinase SRC


(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 5.40E+3n/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
* indicates data uncertainty>20%