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5 similar compounds to monomer 50221589

Wt: 332.3
BDBM50221583
Wt: 341.3
BDBM50221600
Wt: 374.3
BDBM50221603
Wt: 359.3
BDBM50221611
Wt: 240.2
BDBM50221612

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50221583,50221600,50221603,50221611,50221612   
Target
(Institution)
LigandTarget
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)
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)

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)

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)

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

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)
PDB
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PubMed
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)

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