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9 molecules are shown

Wt: 305.3
BDBM33212
Wt: 315.3
BDBM33214
Wt: 309.3
BDBM33215
Wt: 309.3
BDBM33216
Wt: 309.3
BDBM33217
Wt: 312.1
BDBM33213
Wt: 406.4
BDBM50359829
Wt: 339.3
BDBM50359804
Wt: 334.3
BDBM50359805

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 33212,33214,33215,33216,33217,33213,50359829,50359804,50359805   
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)
BDBM33212
PNG
(pyrazolo pyridine, 11)
Show SMILES CCOC(=O)c1cnc2[nH]ncc2c1N1CCOC(CN)C1
Show InChI InChI=1S/C14H19N5O3/c1-2-21-14(20)11-6-16-13-10(7-17-18-13)12(11)19-3-4-22-9(5-15)8-19/h6-7,9H,2-5,8,15H2,1H3,(H,16,17,18)
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n/an/a 1.20E+3n/an/an/an/a7.523



The Institute of Cancer Research



Assay Description
CHK kinase function was measured in a DELFIA assay in order to monitor phosphorylation of a CDC25C peptide using a specific phospho antibody. The enz...


J Med Chem 52: 4810-9 (2009)


Article DOI: 10.1021/jm900314j
BindingDB Entry DOI: 10.7270/Q27W69KC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM33212
PNG
(pyrazolo pyridine, 11)
Show SMILES CCOC(=O)c1cnc2[nH]ncc2c1N1CCOC(CN)C1
Show InChI InChI=1S/C14H19N5O3/c1-2-21-14(20)11-6-16-13-10(7-17-18-13)12(11)19-3-4-22-9(5-15)8-19/h6-7,9H,2-5,8,15H2,1H3,(H,16,17,18)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK2 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM33214
PNG
(pyrazolopyridine, 13)
Show SMILES NCC1CN(CCO1)c1c(cnc2[nH]ncc12)-c1ccsc1
Show InChI InChI=1S/C15H17N5OS/c16-5-11-8-20(2-3-21-11)14-12(10-1-4-22-9-10)6-17-15-13(14)7-18-19-15/h1,4,6-7,9,11H,2-3,5,8,16H2,(H,17,18,19)
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n/an/a 290n/an/an/an/a7.523



The Institute of Cancer Research



Assay Description
CHK kinase function was measured in a DELFIA assay in order to monitor phosphorylation of a CDC25C peptide using a specific phospho antibody. The enz...


J Med Chem 52: 4810-9 (2009)


Article DOI: 10.1021/jm900314j
BindingDB Entry DOI: 10.7270/Q27W69KC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM33215
PNG
(pyrazolopyridine, (Rac)-14 | racemic)
Show SMILES NCC1CN(CCO1)c1c(cnc2[nH]ncc12)-c1ccccc1
Show InChI InChI=1S/C17H19N5O/c18-8-13-11-22(6-7-23-13)16-14(12-4-2-1-3-5-12)9-19-17-15(16)10-20-21-17/h1-5,9-10,13H,6-8,11,18H2,(H,19,20,21)
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n/an/a 890n/an/an/an/a7.523



The Institute of Cancer Research



Assay Description
CHK kinase function was measured in a DELFIA assay in order to monitor phosphorylation of a CDC25C peptide using a specific phospho antibody. The enz...


J Med Chem 52: 4810-9 (2009)


Article DOI: 10.1021/jm900314j
BindingDB Entry DOI: 10.7270/Q27W69KC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Checkpoint Kinase (Chk2)


(Homo sapiens (Human))
BDBM33213
PNG
(pyrazolopyridine, 12)
Show SMILES NCC1CN(CCO1)c1c(Br)cnc2[nH]ncc12
Show InChI InChI=1S/C11H14BrN5O/c12-9-5-14-11-8(4-15-16-11)10(9)17-1-2-18-7(3-13)6-17/h4-5,7H,1-3,6,13H2,(H,14,15,16)
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n/an/a 7.40E+3n/an/an/an/a7.423



The Institute of Cancer Research



Assay Description
CHK kinase function was measured in a DELFIA assay in order to monitor phosphorylation of a CDC25C peptide using a specific phospho antibody. The enz...


J Med Chem 52: 4810-9 (2009)


Article DOI: 10.1021/jm900314j
BindingDB Entry DOI: 10.7270/Q27W69KC
More data for this
Ligand-Target Pair
Checkpoint Kinase (Chk2)


(Homo sapiens (Human))
BDBM33214
PNG
(pyrazolopyridine, 13)
Show SMILES NCC1CN(CCO1)c1c(cnc2[nH]ncc12)-c1ccsc1
Show InChI InChI=1S/C15H17N5OS/c16-5-11-8-20(2-3-21-11)14-12(10-1-4-22-9-10)6-17-15-13(14)7-18-19-15/h1,4,6-7,9,11H,2-3,5,8,16H2,(H,17,18,19)
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n/an/a 4.60E+3n/an/an/an/a7.423



The Institute of Cancer Research



Assay Description
CHK kinase function was measured in a DELFIA assay in order to monitor phosphorylation of a CDC25C peptide using a specific phospho antibody. The enz...


J Med Chem 52: 4810-9 (2009)


Article DOI: 10.1021/jm900314j
BindingDB Entry DOI: 10.7270/Q27W69KC
More data for this
Ligand-Target Pair
Checkpoint Kinase (Chk2)


(Homo sapiens (Human))
BDBM33216
PNG
(pyrazolopyridine, (R)-14)
Show SMILES NC[C@@H]1CN(CCO1)c1c(cnc2[nH]ncc12)-c1ccccc1
Show InChI InChI=1S/C17H19N5O/c18-8-13-11-22(6-7-23-13)16-14(12-4-2-1-3-5-12)9-19-17-15(16)10-20-21-17/h1-5,9-10,13H,6-8,11,18H2,(H,19,20,21)/t13-/m1/s1
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n/an/a 5.90E+3n/an/an/an/a7.423



The Institute of Cancer Research



Assay Description
CHK kinase function was measured in a DELFIA assay in order to monitor phosphorylation of a CDC25C peptide using a specific phospho antibody. The enz...


J Med Chem 52: 4810-9 (2009)


Article DOI: 10.1021/jm900314j
BindingDB Entry DOI: 10.7270/Q27W69KC
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM33212
PNG
(pyrazolo pyridine, 11)
Show SMILES CCOC(=O)c1cnc2[nH]ncc2c1N1CCOC(CN)C1
Show InChI InChI=1S/C14H19N5O3/c1-2-21-14(20)11-6-16-13-10(7-17-18-13)12(11)19-3-4-22-9(5-15)8-19/h6-7,9H,2-5,8,15H2,1H3,(H,16,17,18)
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n/an/an/an/an/an/an/a7.523



The Institute of Cancer Research



Assay Description
CDK1 kinase activity was measured in a DELFIA based HTScan CDK1/CycB kinase assay kit (Cell Signalling Technology) that monitors biotinylated substra...


J Med Chem 52: 4810-9 (2009)


Article DOI: 10.1021/jm900314j
BindingDB Entry DOI: 10.7270/Q27W69KC
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM33213
PNG
(pyrazolopyridine, 12)
Show SMILES NCC1CN(CCO1)c1c(Br)cnc2[nH]ncc12
Show InChI InChI=1S/C11H14BrN5O/c12-9-5-14-11-8(4-15-16-11)10(9)17-1-2-18-7(3-13)6-17/h4-5,7H,1-3,6,13H2,(H,14,15,16)
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n/an/an/an/an/an/an/a7.523



The Institute of Cancer Research



Assay Description
CDK1 kinase activity was measured in a DELFIA based HTScan CDK1/CycB kinase assay kit (Cell Signalling Technology) that monitors biotinylated substra...


J Med Chem 52: 4810-9 (2009)


Article DOI: 10.1021/jm900314j
BindingDB Entry DOI: 10.7270/Q27W69KC
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM33214
PNG
(pyrazolopyridine, 13)
Show SMILES NCC1CN(CCO1)c1c(cnc2[nH]ncc12)-c1ccsc1
Show InChI InChI=1S/C15H17N5OS/c16-5-11-8-20(2-3-21-11)14-12(10-1-4-22-9-10)6-17-15-13(14)7-18-19-15/h1,4,6-7,9,11H,2-3,5,8,16H2,(H,17,18,19)
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n/an/an/an/an/an/an/a7.523



The Institute of Cancer Research



Assay Description
CDK1 kinase activity was measured in a DELFIA based HTScan CDK1/CycB kinase assay kit (Cell Signalling Technology) that monitors biotinylated substra...


J Med Chem 52: 4810-9 (2009)


Article DOI: 10.1021/jm900314j
BindingDB Entry DOI: 10.7270/Q27W69KC
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM33216
PNG
(pyrazolopyridine, (R)-14)
Show SMILES NC[C@@H]1CN(CCO1)c1c(cnc2[nH]ncc12)-c1ccccc1
Show InChI InChI=1S/C17H19N5O/c18-8-13-11-22(6-7-23-13)16-14(12-4-2-1-3-5-12)9-19-17-15(16)10-20-21-17/h1-5,9-10,13H,6-8,11,18H2,(H,19,20,21)/t13-/m1/s1
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n/an/an/an/an/an/an/a7.523



The Institute of Cancer Research



Assay Description
CDK1 kinase activity was measured in a DELFIA based HTScan CDK1/CycB kinase assay kit (Cell Signalling Technology) that monitors biotinylated substra...


J Med Chem 52: 4810-9 (2009)


Article DOI: 10.1021/jm900314j
BindingDB Entry DOI: 10.7270/Q27W69KC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM33216
PNG
(pyrazolopyridine, (R)-14)
Show SMILES NC[C@@H]1CN(CCO1)c1c(cnc2[nH]ncc12)-c1ccccc1
Show InChI InChI=1S/C17H19N5O/c18-8-13-11-22(6-7-23-13)16-14(12-4-2-1-3-5-12)9-19-17-15(16)10-20-21-17/h1-5,9-10,13H,6-8,11,18H2,(H,19,20,21)/t13-/m1/s1
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n/an/a 700n/an/an/an/a7.523



The Institute of Cancer Research



Assay Description
CHK kinase function was measured in a DELFIA assay in order to monitor phosphorylation of a CDC25C peptide using a specific phospho antibody. The enz...


J Med Chem 52: 4810-9 (2009)


Article DOI: 10.1021/jm900314j
BindingDB Entry DOI: 10.7270/Q27W69KC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM33217
PNG
(pyrazolopyridine, (S)-14)
Show SMILES NC[C@H]1CN(CCO1)c1c(cnc2[nH]ncc12)-c1ccccc1
Show InChI InChI=1S/C17H19N5O/c18-8-13-11-22(6-7-23-13)16-14(12-4-2-1-3-5-12)9-19-17-15(16)10-20-21-17/h1-5,9-10,13H,6-8,11,18H2,(H,19,20,21)/t13-/m0/s1
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n/an/a 860n/an/an/an/a7.523



The Institute of Cancer Research



Assay Description
CHK kinase function was measured in a DELFIA assay in order to monitor phosphorylation of a CDC25C peptide using a specific phospho antibody. The enz...


J Med Chem 52: 4810-9 (2009)


Article DOI: 10.1021/jm900314j
BindingDB Entry DOI: 10.7270/Q27W69KC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Checkpoint Kinase (Chk2)


(Homo sapiens (Human))
BDBM33212
PNG
(pyrazolo pyridine, 11)
Show SMILES CCOC(=O)c1cnc2[nH]ncc2c1N1CCOC(CN)C1
Show InChI InChI=1S/C14H19N5O3/c1-2-21-14(20)11-6-16-13-10(7-17-18-13)12(11)19-3-4-22-9(5-15)8-19/h6-7,9H,2-5,8,15H2,1H3,(H,16,17,18)
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n/an/a 7.40E+4n/an/an/an/a7.423



The Institute of Cancer Research



Assay Description
CHK kinase function was measured in a DELFIA assay in order to monitor phosphorylation of a CDC25C peptide using a specific phospho antibody. The enz...


J Med Chem 52: 4810-9 (2009)


Article DOI: 10.1021/jm900314j
BindingDB Entry DOI: 10.7270/Q27W69KC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM33212
PNG
(pyrazolo pyridine, 11)
Show SMILES CCOC(=O)c1cnc2[nH]ncc2c1N1CCOC(CN)C1
Show InChI InChI=1S/C14H19N5O3/c1-2-21-14(20)11-6-16-13-10(7-17-18-13)12(11)19-3-4-22-9(5-15)8-19/h6-7,9H,2-5,8,15H2,1H3,(H,16,17,18)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359804
PNG
(CHEMBL1928673)
Show SMILES NCC1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(CO)c3)c12
Show InChI InChI=1S/C18H21N5O2/c19-7-14-9-23(4-5-25-14)18-16-15(8-20-17(16)21-11-22-18)13-3-1-2-12(6-13)10-24/h1-3,6,8,11,14,24H,4-5,7,9-10,19H2,(H,20,21,22)
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n/an/a 430n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359805
PNG
(CHEMBL1928672)
Show SMILES NCC1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C18H18N6O/c19-7-12-2-1-3-13(6-12)15-9-21-17-16(15)18(23-11-22-17)24-4-5-25-14(8-20)10-24/h1-3,6,9,11,14H,4-5,8,10,20H2,(H,21,22,23)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359829
PNG
(CHEMBL1928671)
Show SMILES CCOC(=O)c1cnc2[nH]nc(-c3cccc(c3)C#N)c2c1N1CCOC(CN)C1
Show InChI InChI=1S/C21H22N6O3/c1-2-29-21(28)16-11-24-20-17(19(16)27-6-7-30-15(10-23)12-27)18(25-26-20)14-5-3-4-13(8-14)9-22/h3-5,8,11,15H,2,6-7,10,12,23H2,1H3,(H,24,25,26)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50359804
PNG
(CHEMBL1928673)
Show SMILES NCC1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(CO)c3)c12
Show InChI InChI=1S/C18H21N5O2/c19-7-14-9-23(4-5-25-14)18-16-15(8-20-17(16)21-11-22-18)13-3-1-2-12(6-13)10-24/h1-3,6,8,11,14,24H,4-5,7,9-10,19H2,(H,20,21,22)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK2 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50359805
PNG
(CHEMBL1928672)
Show SMILES NCC1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C18H18N6O/c19-7-12-2-1-3-13(6-12)15-9-21-17-16(15)18(23-11-22-17)24-4-5-25-14(8-20)10-24/h1-3,6,9,11,14H,4-5,8,10,20H2,(H,21,22,23)
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PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK2 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM33213
PNG
(pyrazolopyridine, 12)
Show SMILES NCC1CN(CCO1)c1c(Br)cnc2[nH]ncc12
Show InChI InChI=1S/C11H14BrN5O/c12-9-5-14-11-8(4-15-16-11)10(9)17-1-2-18-7(3-13)6-17/h4-5,7H,1-3,6,13H2,(H,14,15,16)
PDB
MMDB

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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 390n/an/an/an/a7.523



The Institute of Cancer Research



Assay Description
CHK kinase function was measured in a DELFIA assay in order to monitor phosphorylation of a CDC25C peptide using a specific phospho antibody. The enz...


J Med Chem 52: 4810-9 (2009)


Article DOI: 10.1021/jm900314j
BindingDB Entry DOI: 10.7270/Q27W69KC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)