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PubMed code 17502122

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
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



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)
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)
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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PubMed
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)
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)
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
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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PubMed
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 Chk1


(Homo sapiens)
BDBM50251206
PNG
(2H,6H-5-Ethoxycarbonyl-1,3-dihydropyrrolo-[3,4-c]c...)
Show SMILES CCOC(=O)c1cc2C(=O)NC(=O)c2c2c3ccccc3[nH]c12
Show InChI InChI=1S/C17H12N2O4/c1-2-23-17(22)10-7-9-13(16(21)19-15(9)20)12-8-5-3-4-6-11(8)18-14(10)12/h3-7,18H,2H2,1H3,(H,19,20,21)
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n/an/a>5.00E+3n/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
* indicates data uncertainty>20%