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15 molecules are shown

Wt: 398.4
BDBM91895
Wt: 384.4
BDBM50214577
Wt: 332.3
BDBM50221583
Wt: 358.3
BDBM50221586
Wt: 362.3
BDBM50221589
Wt: 317.3
BDBM50221593
Wt: 341.3
BDBM50221600
Wt: 374.3
BDBM50221603
Wt: 308.3
BDBM50221607
Wt: 321.3
BDBM50221608
Wt: 359.3
BDBM50221611
Wt: 322.3
BDBM50221568
Wt: 303.3
BDBM50221575
Wt: 369.4
BDBM50221615
Wt: 240.2
BDBM50221612

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 91895,50214577,50221583,50221586,50221589,50221593,50221600,50221603,50221607,50221608,50221611,50221568,50221575,50221615,50221612   
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)
BDBM50221589
PNG
(4-((6,7-dimethoxy-1,4-dihydroindeno[1,2-c]pyrazol-...)
Show SMILES COc1cc2Cc3c(n[nH]c3C#Cc3ccc(O)c(OC)c3)-c2cc1OC
Show InChI InChI=1S/C21H18N2O4/c1-25-18-8-12(5-7-17(18)24)4-6-16-15-9-13-10-19(26-2)20(27-3)11-14(13)21(15)23-22-16/h5,7-8,10-11,24H,9H2,1-3H3,(H,22,23)
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5n/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 (crystal)
CHK1_Kinase


(Homo sapiens (Human))
BDBM50221589
PNG
(4-((6,7-dimethoxy-1,4-dihydroindeno[1,2-c]pyrazol-...)
Show SMILES COc1cc2Cc3c(n[nH]c3C#Cc3ccc(O)c(OC)c3)-c2cc1OC
Show InChI InChI=1S/C21H18N2O4/c1-25-18-8-12(5-7-17(18)24)4-6-16-15-9-13-10-19(26-2)20(27-3)11-14(13)21(15)23-22-16/h5,7-8,10-11,24H,9H2,1-3H3,(H,22,23)
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D3R
5.22n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91895
PNG
(Chk1_3)
Show SMILES COc1cc2Cc3c(n[nH]c3-c3ccc(OCc4ccccc4)cc3)-c2cc1OC
Show InChI InChI=1S/C25H22N2O3/c1-28-22-13-18-12-21-24(26-27-25(21)20(18)14-23(22)29-2)17-8-10-19(11-9-17)30-15-16-6-4-3-5-7-16/h3-11,13-14H,12,15H2,1-2H3,(H,26,27)
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D3R
>1.00E+4n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
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)
BDBM50221575
PNG
(4-(6-hydroxy-7-methoxy-2,4-dihydro-indeno[1,2-c]py...)
Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C#N)cc1O
Show InChI InChI=1S/C18H13N3O2/c1-23-16-8-13-12(7-15(16)22)6-14-17(20-21-18(13)14)11-4-2-10(9-19)3-5-11/h2-5,7-8,22H,6H2,1H3,(H,20,21)
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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)
BDBM50221593
PNG
(4'-(1,4-dihydro-indeno[1,2-c]pyrazol-3-yl)-benzoni...)
Show SMILES COc1cc2Cc3c([nH]nc3-c3ccc(cc3)C#N)-c2cc1OC
Show InChI InChI=1S/C19H15N3O2/c1-23-16-8-13-7-15-18(12-5-3-11(10-20)4-6-12)21-22-19(15)14(13)9-17(16)24-2/h3-6,8-9H,7H2,1-2H3,(H,21,22)
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n/an/a 7n/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)
BDBM50221607
PNG
(4-(6,7-dimethoxy-2,4-dihydro-indeno[1,2-c]pyrazol-...)
Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(O)cc1
Show InChI InChI=1S/C18H16N2O3/c1-22-15-8-11-7-14-17(10-3-5-12(21)6-4-10)19-20-18(14)13(11)9-16(15)23-2/h3-6,8-9,21H,7H2,1-2H3,(H,19,20)
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n/an/a 25n/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)
BDBM50221611
PNG
(4-(6,7-dimethoxy-2,4-dihydro-indeno[1,2-c]pyrazol-...)
Show SMILES COc1cc2Cc3c([nH]nc3-c2cc1OC)C#Cc1ccc(cc1)C(N)=O
Show InChI InChI=1S/C21H17N3O3/c1-26-18-10-14-9-16-17(23-24-20(16)15(14)11-19(18)27-2)8-5-12-3-6-13(7-4-12)21(22)25/h3-4,6-7,10-11H,9H2,1-2H3,(H2,22,25)(H,23,24)
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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)
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)
BDBM50221603
PNG
(4-(6,7-dimethoxy-2,4-dihydro-indeno[1,2-c]pyrazol-...)
Show SMILES COc1cc2Cc3c(n[nH]c3C#Cc3ccc(NC(N)=O)cc3)-c2cc1OC
Show InChI InChI=1S/C21H18N4O3/c1-27-18-10-13-9-16-17(24-25-20(16)15(13)11-19(18)28-2)8-5-12-3-6-14(7-4-12)23-21(22)26/h3-4,6-7,10-11H,9H2,1-2H3,(H,24,25)(H3,22,23,26)
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n/an/a 1.74E+3n/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)
BDBM50221600
PNG
(4-(6,7-dimethoxy-2,4-dihydro-indeno[1,2-c]pyrazol-...)
Show SMILES COc1cc2Cc3c(n[nH]c3C#Cc3ccc(cc3)C#N)-c2cc1OC
Show InChI InChI=1S/C21H15N3O2/c1-25-19-10-15-9-17-18(8-7-13-3-5-14(12-22)6-4-13)23-24-21(17)16(15)11-20(19)26-2/h3-6,10-11H,9H2,1-2H3,(H,23,24)
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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)
BDBM50221589
PNG
(4-((6,7-dimethoxy-1,4-dihydroindeno[1,2-c]pyrazol-...)
Show SMILES COc1cc2Cc3c(n[nH]c3C#Cc3ccc(O)c(OC)c3)-c2cc1OC
Show InChI InChI=1S/C21H18N2O4/c1-25-18-8-12(5-7-17(18)24)4-6-16-15-9-13-10-19(26-2)20(27-3)11-14(13)21(15)23-22-16/h5,7-8,10-11,24H,9H2,1-3H3,(H,22,23)
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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: 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 (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50221583
PNG
(4-(6,7-dimethoxy-2,4-dihydro-indeno[1,2-c]pyrazol-...)
Show SMILES COc1cc2Cc3c(n[nH]c3C#Cc3ccc(O)cc3)-c2cc1OC
Show InChI InChI=1S/C20H16N2O3/c1-24-18-10-13-9-16-17(8-5-12-3-6-14(23)7-4-12)21-22-20(16)15(13)11-19(18)25-2/h3-4,6-7,10-11,23H,9H2,1-2H3,(H,21,22)
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n/an/a 19n/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)
BDBM50221612
PNG
(3-ethynyl-6,7-dimethoxy-2,4-dihydro-indeno[1,2-c]p...)
Show SMILES COc1cc2Cc3c(n[nH]c3C#C)-c2cc1OC
Show InChI InChI=1S/C14H12N2O2/c1-4-11-10-5-8-6-12(17-2)13(18-3)7-9(8)14(10)16-15-11/h1,6-7H,5H2,2-3H3,(H,15,16)
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n/an/a 5.14E+3n/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)
BDBM50221608
PNG
(4-(6,7-dimethoxy-2,4-dihydro-indeno[1,2-c]pyrazol-...)
Show SMILES COc1cc2Cc3c([nH]nc3-c3ccc(CN)cc3)-c2cc1OC
Show InChI InChI=1S/C19H19N3O2/c1-23-16-8-13-7-15-18(12-5-3-11(10-20)4-6-12)21-22-19(15)14(13)9-17(16)24-2/h3-6,8-9H,7,10,20H2,1-2H3,(H,21,22)
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n/an/a 779n/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)
BDBM50221586
PNG
(6,7-dimethoxy-3-[4-(1H-pyrazol-4-yl)-phenyl]-2,4-d...)
Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(cc1)-c1cn[nH]c1
Show InChI InChI=1S/C21H18N4O2/c1-26-18-8-14-7-17-20(24-25-21(17)16(14)9-19(18)27-2)13-5-3-12(4-6-13)15-10-22-23-11-15/h3-6,8-11H,7H2,1-2H3,(H,22,23)(H,24,25)
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n/an/a 47n/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)
BDBM50221568
PNG
(CHEMBL247237 | [4-(6,7-dimethoxy-2,4-dihydro-inden...)
Show SMILES COc1cc2Cc3c([nH]nc3-c3ccc(CO)cc3)-c2cc1OC
Show InChI InChI=1S/C19H18N2O3/c1-23-16-8-13-7-15-18(12-5-3-11(10-22)4-6-12)20-21-19(15)14(13)9-17(16)24-2/h3-6,8-9,22H,7,10H2,1-2H3,(H,20,21)
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n/an/a 25n/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 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)
BDBM91895
PNG
(Chk1_3)
Show SMILES COc1cc2Cc3c(n[nH]c3-c3ccc(OCc4ccccc4)cc3)-c2cc1OC
Show InChI InChI=1S/C25H22N2O3/c1-28-22-13-18-12-21-24(26-27-25(21)20(18)14-23(22)29-2)17-8-10-19(11-9-17)30-15-16-6-4-3-5-7-16/h3-11,13-14H,12,15H2,1-2H3,(H,26,27)
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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)
BDBM50221589
PNG
(4-((6,7-dimethoxy-1,4-dihydroindeno[1,2-c]pyrazol-...)
Show SMILES COc1cc2Cc3c(n[nH]c3C#Cc3ccc(O)c(OC)c3)-c2cc1OC
Show InChI InChI=1S/C21H18N2O4/c1-25-18-8-12(5-7-17(18)24)4-6-16-15-9-13-10-19(26-2)20(27-3)11-14(13)21(15)23-22-16/h5,7-8,10-11,24H,9H2,1-3H3,(H,22,23)
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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 (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50221607
PNG
(4-(6,7-dimethoxy-2,4-dihydro-indeno[1,2-c]pyrazol-...)
Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(O)cc1
Show InChI InChI=1S/C18H16N2O3/c1-22-15-8-11-7-14-17(10-3-5-12(21)6-4-10)19-20-18(14)13(11)9-16(15)23-2/h3-6,8-9,21H,7H2,1-2H3,(H,19,20)
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n/an/a 24n/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 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)