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PubMed code 18321713

Compile data set for download or QSAR
Found 9 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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Article
PubMed
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)
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)
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)
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)
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)
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)
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
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50376169
PNG
(CHEMBL259432)
Show SMILES OC[C@H]1O[C@]2(Oc3ccc(O)c4c5C(=O)NC(=O)c5c5c6ccccc6n2c5c34)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C24H18N2O9/c27-7-12-19(29)20(30)21(31)24(35-12)26-9-4-2-1-3-8(9)13-16-17(23(33)25-22(16)32)14-10(28)5-6-11(34-24)15(14)18(13)26/h1-6,12,19-21,27-31H,7H2,(H,25,32,33)/t12-,19-,20+,21-,24-/m1/s1
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n/an/a 1.92E+3n/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)
BDBM50376171
PNG
(CHEMBL265691)
Show SMILES CC1(C)C(=O)c2c3C(=O)NC(=O)c3c3c([nH]c4ccccc34)c2C1=O
Show InChI InChI=1S/C19H12N2O4/c1-19(2)15(22)10-12-11(17(24)21-18(12)25)9-7-5-3-4-6-8(7)20-14(9)13(10)16(19)23/h3-6,20H,1-2H3,(H,21,24,25)
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n/an/a 1.45E+4n/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
* indicates data uncertainty>20%