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13 molecules are shown

Compile data set for download or QSAR
Wt: 354.4
BDBM91827
Wt: 354.4
BDBM91963
Wt: 340.3
BDBM91964
Wt: 341.3
BDBM91832
Wt: 370.4
BDBM50214559
Wt: 384.4
BDBM50214577
Wt: 370.4
BDBM50214599
Wt: 340.3
BDBM50212517
Wt: 354.4
BDBM50212489
Wt: 324.3
BDBM50212494
Wt: 354.4
BDBM50212495
Wt: 383.4
BDBM50221590
Wt: 369.4
BDBM50221615

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 91827,91963,91964,91832,50214559,50214577,50214599,50212517,50212489,50212494,50212495,50221590,50221615   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50214577
PNG
(4'-(6,7-dimethoxy-1,4-dihydro-indeno[1,2-c]pyrazol...)
Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C24H20N2O3/c1-28-21-12-17-11-20-23(25-26-24(20)19(17)13-22(21)29-2)16-5-3-14(4-6-16)15-7-9-18(27)10-8-15/h3-10,12-13,27H,11H2,1-2H3,(H,25,26)
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1.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


J Med Chem 52: 3159-65 (2009)


Article DOI: 10.1021/jm801444x
BindingDB Entry DOI: 10.7270/Q2FF3TM8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM91827
PNG
(CHEMBL232804 | Chk1_101)
Show SMILES OCc1ccc2Cc3c([nH]nc3-c3ccc(cc3)-c3ccc(O)cc3)-c2c1
Show InChI InChI=1S/C23H18N2O2/c26-13-14-1-2-18-12-21-22(24-25-23(21)20(18)11-14)17-5-3-15(4-6-17)16-7-9-19(27)10-8-16/h1-11,26-27H,12-13H2,(H,24,25)
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4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


J Med Chem 52: 3159-65 (2009)


Article DOI: 10.1021/jm801444x
BindingDB Entry DOI: 10.7270/Q2FF3TM8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM91964
PNG
(CHEMBL391449 | Chk1_95)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(O)ccc-21
Show InChI InChI=1S/C22H16N2O2/c25-17-7-5-14(6-8-17)13-1-3-15(4-2-13)21-20-12-16-11-18(26)9-10-19(16)22(20)24-23-21/h1-11,25-26H,12H2,(H,23,24)
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6.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


J Med Chem 52: 3159-65 (2009)


Article DOI: 10.1021/jm801444x
BindingDB Entry DOI: 10.7270/Q2FF3TM8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50212489
PNG
(4'-(6-(hydroxymethyl)-1,4-dihydroindeno[1,2-c]pyra...)
Show SMILES OCc1ccc-2c(Cc3c-2[nH]nc3-c2ccc(cc2)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C23H18N2O2/c26-13-14-1-10-20-18(11-14)12-21-22(24-25-23(20)21)17-4-2-15(3-5-17)16-6-8-19(27)9-7-16/h1-11,26-27H,12-13H2,(H,24,25)
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7.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


J Med Chem 52: 3159-65 (2009)


Article DOI: 10.1021/jm801444x
BindingDB Entry DOI: 10.7270/Q2FF3TM8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50212495
PNG
(4'-(5-(hydroxymethyl)-1,4-dihydroindeno[1,2-c]pyra...)
Show SMILES OCc1cccc-2c1Cc1c-2[nH]nc1-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C23H18N2O2/c26-13-17-2-1-3-19-20(17)12-21-22(24-25-23(19)21)16-6-4-14(5-7-16)15-8-10-18(27)11-9-15/h1-11,26-27H,12-13H2,(H,24,25)
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7.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


J Med Chem 52: 3159-65 (2009)


Article DOI: 10.1021/jm801444x
BindingDB Entry DOI: 10.7270/Q2FF3TM8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM91827
PNG
(CHEMBL232804 | Chk1_101)
Show SMILES OCc1ccc2Cc3c([nH]nc3-c3ccc(cc3)-c3ccc(O)cc3)-c2c1
Show InChI InChI=1S/C23H18N2O2/c26-13-14-1-2-18-12-21-22(24-25-23(21)20(18)11-14)17-5-3-15(4-6-17)16-7-9-19(27)10-8-16/h1-11,26-27H,12-13H2,(H,24,25)
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n/an/a 4.40n/an/an/an/an/an/a



CSAR



Assay Description
ChemBL affinity - Published Abbott papers


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM91827
PNG
(CHEMBL232804 | Chk1_101)
Show SMILES OCc1ccc2Cc3c([nH]nc3-c3ccc(cc3)-c3ccc(O)cc3)-c2c1
Show InChI InChI=1S/C23H18N2O2/c26-13-14-1-2-18-12-21-22(24-25-23(21)20(18)11-14)17-5-3-15(4-6-17)16-7-9-19(27)10-8-16/h1-11,26-27H,12-13H2,(H,24,25)
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n/an/a 4n/an/an/an/an/an/a



CSAR



Assay Description
Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50214577
PNG
(4'-(6,7-dimethoxy-1,4-dihydro-indeno[1,2-c]pyrazol...)
Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C24H20N2O3/c1-28-21-12-17-11-20-23(25-26-24(20)19(17)13-22(21)29-2)16-5-3-14(4-6-16)15-7-9-18(27)10-8-15/h3-10,12-13,27H,11H2,1-2H3,(H,25,26)
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n/an/a 1.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1


Bioorg Med Chem Lett 17: 5665-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.069
BindingDB Entry DOI: 10.7270/Q2ZG6S0X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50212495
PNG
(4'-(5-(hydroxymethyl)-1,4-dihydroindeno[1,2-c]pyra...)
Show SMILES OCc1cccc-2c1Cc1c-2[nH]nc1-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C23H18N2O2/c26-13-17-2-1-3-19-20(17)12-21-22(24-25-23(19)21)16-6-4-14(5-7-16)15-8-10-18(27)11-9-15/h1-11,26-27H,12-13H2,(H,24,25)
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n/an/a 7.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins


Bioorg Med Chem Lett 17: 3618-23 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.055
BindingDB Entry DOI: 10.7270/Q2DR2V6Q
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50212494
PNG
(4'-(1,4-dihydro-indeno[1,2-c]pyrazol-3-yl)-bipheny...)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1[nH]nc-2c1Cc1ccccc-21
Show InChI InChI=1S/C22H16N2O/c25-18-11-9-15(10-12-18)14-5-7-16(8-6-14)21-20-13-17-3-1-2-4-19(17)22(20)24-23-21/h1-12,25H,13H2,(H,23,24)
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n/an/a 1.37E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins


Bioorg Med Chem Lett 17: 3618-23 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.055
BindingDB Entry DOI: 10.7270/Q2DR2V6Q
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM91827
PNG
(CHEMBL232804 | Chk1_101)
Show SMILES OCc1ccc2Cc3c([nH]nc3-c3ccc(cc3)-c3ccc(O)cc3)-c2c1
Show InChI InChI=1S/C23H18N2O2/c26-13-14-1-2-18-12-21-22(24-25-23(21)20(18)11-14)17-5-3-15(4-6-17)16-7-9-19(27)10-8-16/h1-11,26-27H,12-13H2,(H,24,25)
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n/an/a 4.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins


Bioorg Med Chem Lett 17: 3618-23 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.055
BindingDB Entry DOI: 10.7270/Q2DR2V6Q
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50212517
PNG
(3-(4'-hydroxy-biphenyl-4-yl)-1,4-dihydro-indeno[1,...)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1[nH]nc-2c1Cc1cccc(O)c-21
Show InChI InChI=1S/C22H16N2O2/c25-17-10-8-14(9-11-17)13-4-6-15(7-5-13)21-18-12-16-2-1-3-19(26)20(16)22(18)24-23-21/h1-11,25-26H,12H2,(H,23,24)
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n/an/a 671n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins


Bioorg Med Chem Lett 17: 3618-23 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.055
BindingDB Entry DOI: 10.7270/Q2DR2V6Q
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50212489
PNG
(4'-(6-(hydroxymethyl)-1,4-dihydroindeno[1,2-c]pyra...)
Show SMILES OCc1ccc-2c(Cc3c-2[nH]nc3-c2ccc(cc2)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C23H18N2O2/c26-13-14-1-10-20-18(11-14)12-21-22(24-25-23(20)21)17-4-2-15(3-5-17)16-6-8-19(27)9-7-16/h1-11,26-27H,12-13H2,(H,24,25)
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n/an/a 7.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins


Bioorg Med Chem Lett 17: 3618-23 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.055
BindingDB Entry DOI: 10.7270/Q2DR2V6Q
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM91964
PNG
(CHEMBL391449 | Chk1_95)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(O)ccc-21
Show InChI InChI=1S/C22H16N2O2/c25-17-7-5-14(6-8-17)13-1-3-15(4-2-13)21-20-12-16-11-18(26)9-10-19(16)22(20)24-23-21/h1-11,25-26H,12H2,(H,23,24)
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n/an/a 4.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins


Bioorg Med Chem Lett 17: 3618-23 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.055
BindingDB Entry DOI: 10.7270/Q2DR2V6Q
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50214577
PNG
(4'-(6,7-dimethoxy-1,4-dihydro-indeno[1,2-c]pyrazol...)
Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C24H20N2O3/c1-28-21-12-17-11-20-23(25-26-24(20)19(17)13-22(21)29-2)16-5-3-14(4-6-16)15-7-9-18(27)10-8-15/h3-10,12-13,27H,11H2,1-2H3,(H,25,26)
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n/an/a 1.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 17: 4308-15 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.027
BindingDB Entry DOI: 10.7270/Q2PZ58JV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50214559
PNG
(3-(4'-hydroxy-biphenyl-4-yl)-6-methoxy-2,4-dihydro...)
Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1O)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C23H18N2O3/c1-28-21-11-16-10-19-22(24-25-23(19)18(16)12-20(21)27)15-4-2-13(3-5-15)14-6-8-17(26)9-7-14/h2-9,11-12,26-27H,10H2,1H3,(H,24,25)
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 17: 4308-15 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.027
BindingDB Entry DOI: 10.7270/Q2PZ58JV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50214599
PNG
(3-(4'-hydroxy-biphenyl-4-yl)-7-methoxy-2,4-dihydro...)
Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)cc1O
Show InChI InChI=1S/C23H18N2O3/c1-28-21-12-18-16(11-20(21)27)10-19-22(24-25-23(18)19)15-4-2-13(3-5-15)14-6-8-17(26)9-7-14/h2-9,11-12,26-27H,10H2,1H3,(H,24,25)
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 17: 4308-15 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.027
BindingDB Entry DOI: 10.7270/Q2PZ58JV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50221590
PNG
(4'-(6,7-dimethoxy-2,4-dihydro-indeno[1,2-c]pyrazol...)
Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(cc1)-c1ccc(N)cc1
Show InChI InChI=1S/C24H21N3O2/c1-28-21-12-17-11-20-23(26-27-24(20)19(17)13-22(21)29-2)16-5-3-14(4-6-16)15-7-9-18(25)10-8-15/h3-10,12-13H,11,25H2,1-2H3,(H,26,27)
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n/an/a 355n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 17: 5944-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.102
BindingDB Entry DOI: 10.7270/Q2B56KKC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50221615
PNG
(6,7-dimethoxy-3-(4-pyridin-4-yl-phenyl)-2,4-dihydr...)
Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C23H19N3O2/c1-27-20-12-17-11-19-22(25-26-23(19)18(17)13-21(20)28-2)16-5-3-14(4-6-16)15-7-9-24-10-8-15/h3-10,12-13H,11H2,1-2H3,(H,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 17: 5944-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.102
BindingDB Entry DOI: 10.7270/Q2B56KKC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50214577
PNG
(4'-(6,7-dimethoxy-1,4-dihydro-indeno[1,2-c]pyrazol...)
Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C24H20N2O3/c1-28-21-12-17-11-20-23(25-26-24(20)19(17)13-22(21)29-2)16-5-3-14(4-6-16)15-7-9-18(27)10-8-15/h3-10,12-13,27H,11H2,1-2H3,(H,25,26)
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 17: 5944-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.102
BindingDB Entry DOI: 10.7270/Q2B56KKC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50214577
PNG
(4'-(6,7-dimethoxy-1,4-dihydro-indeno[1,2-c]pyrazol...)
Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C24H20N2O3/c1-28-21-12-17-11-20-23(25-26-24(20)19(17)13-22(21)29-2)16-5-3-14(4-6-16)15-7-9-18(27)10-8-15/h3-10,12-13,27H,11H2,1-2H3,(H,25,26)
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n/an/a 2n/an/an/an/an/an/a



CSAR



Assay Description
Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50214559
PNG
(3-(4'-hydroxy-biphenyl-4-yl)-6-methoxy-2,4-dihydro...)
Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1O)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C23H18N2O3/c1-28-21-11-16-10-19-22(24-25-23(19)18(16)12-20(21)27)15-4-2-13(3-5-15)14-6-8-17(26)9-7-14/h2-9,11-12,26-27H,10H2,1H3,(H,24,25)
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n/an/a 5n/an/an/an/an/an/a



CSAR



Assay Description
Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM91832
PNG
(Chk1_106)
Show SMILES Oc1ccc-2c(Cc3c-2[nH]nc3-c2ccc(cc2)-c2cc[nH]c(=O)c2)c1
Show InChI InChI=1S/C21H15N3O2/c25-16-5-6-17-15(9-16)10-18-20(23-24-21(17)18)13-3-1-12(2-4-13)14-7-8-22-19(26)11-14/h1-9,11,25H,10H2,(H,22,26)(H,23,24)
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n/an/a 1.25E+3n/an/an/an/an/an/a



CSAR



Assay Description
Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM91964
PNG
(CHEMBL391449 | Chk1_95)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(O)ccc-21
Show InChI InChI=1S/C22H16N2O2/c25-17-7-5-14(6-8-17)13-1-3-15(4-2-13)21-20-12-16-11-18(26)9-10-19(16)22(20)24-23-21/h1-11,25-26H,12H2,(H,23,24)
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n/an/a 6n/an/an/an/an/an/a



CSAR



Assay Description
Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM91963
PNG
(Chk1_94)
Show SMILES OCc1ccc(cc1)-c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(O)ccc-21
Show InChI InChI=1S/C23H18N2O2/c26-13-14-1-3-15(4-2-14)16-5-7-17(8-6-16)22-21-12-18-11-19(27)9-10-20(18)23(21)25-24-22/h1-11,26-27H,12-13H2,(H,24,25)
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n/an/a 1.00E+4n/an/an/an/an/an/a



CSAR



Assay Description
Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM91964
PNG
(CHEMBL391449 | Chk1_95)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(O)ccc-21
Show InChI InChI=1S/C22H16N2O2/c25-17-7-5-14(6-8-17)13-1-3-15(4-2-13)21-20-12-16-11-18(26)9-10-19(16)22(20)24-23-21/h1-11,25-26H,12H2,(H,23,24)
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n/an/a 4.40n/an/an/an/an/an/a



CSAR



Assay Description
ChemBL affinity - Published Abbott papers


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)