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PubMed code 28279847

Compile data set for download or QSAR
Found 40 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
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237672
PNG
(CHEMBL4089159)
Show SMILES COC(=O)C1=C(Nc2ccccc2Cl)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|
Show InChI InChI=1S/C20H14ClN3O4/c1-27-20(26)16-17(25)15(9-11-10-23-18-12(11)5-4-8-22-18)28-19(16)24-14-7-3-2-6-13(14)21/h2-10,24H,1H3,(H,22,23)/b15-9-
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n/an/a 0.600n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus expression syst...


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237689
PNG
(CHEMBL4066943)
Show SMILES COC(=O)C1=C(Nc2ccccc2F)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|
Show InChI InChI=1S/C20H14FN3O4/c1-27-20(26)16-17(25)15(9-11-10-23-18-12(11)5-4-8-22-18)28-19(16)24-14-7-3-2-6-13(14)21/h2-10,24H,1H3,(H,22,23)/b15-9-
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n/an/a 2.40n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237692
PNG
(CHEMBL4091162)
Show SMILES COC(=O)C1=C(Nc2ccc(F)cc2F)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|
Show InChI InChI=1S/C20H13F2N3O4/c1-28-20(27)16-17(26)15(7-10-9-24-18-12(10)3-2-6-23-18)29-19(16)25-14-5-4-11(21)8-13(14)22/h2-9,25H,1H3,(H,23,24)/b15-7-
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n/an/a 2.5n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V1a receptor


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237673
PNG
(CHEMBL4098085)
Show SMILES CCOC(=O)C1=C(Nc2ccccc2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:5|
Show InChI InChI=1S/C21H17N3O4/c1-2-27-21(26)17-18(25)16(28-20(17)24-14-7-4-3-5-8-14)11-13-12-23-19-15(13)9-6-10-22-19/h3-12,24H,2H2,1H3,(H,22,23)/b16-11-
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n/an/a 3.30n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus expression syst...


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237682
PNG
(CHEMBL4083363)
Show SMILES COC(=O)C1=C(Nc2ccccc2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|
Show InChI InChI=1S/C20H15N3O4/c1-26-20(25)16-17(24)15(27-19(16)23-13-6-3-2-4-7-13)10-12-11-22-18-14(12)8-5-9-21-18/h2-11,23H,1H3,(H,21,22)/b15-10-
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n/an/a 3.30n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of 1 nM AVP-induced cAMP accumulation in cells expressing human vasopressin V2 receptor


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237695
PNG
(CHEMBL4072935)
Show SMILES COC(=O)C1=C(Nc2ccncc2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|
Show InChI InChI=1S/C19H14N4O4/c1-26-19(25)15-16(24)14(27-18(15)23-12-4-7-20-8-5-12)9-11-10-22-17-13(11)3-2-6-21-17/h2-10H,1H3,(H,20,23)(H,21,22)/b14-9-
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n/an/a 3.5n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus expression syst...


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237701
PNG
(CHEMBL4098908)
Show SMILES COC(=O)C1=C(Nc2ccccc2C)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|
Show InChI InChI=1S/C21H17N3O4/c1-12-6-3-4-8-15(12)24-20-17(21(26)27-2)18(25)16(28-20)10-13-11-23-19-14(13)7-5-9-22-19/h3-11,24H,1-2H3,(H,22,23)/b16-10-
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n/an/a 3.80n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237702
PNG
(CHEMBL4070220)
Show SMILES COC(=O)C1=C(Nc2ccc(C)cc2C)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|
Show InChI InChI=1S/C22H19N3O4/c1-12-6-7-16(13(2)9-12)25-21-18(22(27)28-3)19(26)17(29-21)10-14-11-24-20-15(14)5-4-8-23-20/h4-11,25H,1-3H3,(H,23,24)/b17-10-
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n/an/a 3.90n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus expression syst...


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237698
PNG
(CHEMBL4090216)
Show SMILES COC(=O)C1=C(Nc2ccc3cn[nH]c3c2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|
Show InChI InChI=1S/C21H15N5O4/c1-29-21(28)17-18(27)16(7-12-9-23-19-14(12)3-2-6-22-19)30-20(17)25-13-5-4-11-10-24-26-15(11)8-13/h2-10,25H,1H3,(H,22,23)(H,24,26)/b16-7-
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n/an/a 4n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus expression syst...


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237690
PNG
(CHEMBL4084928)
Show SMILES COC(=O)C1=C(Nc2ccc(F)cc2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|
Show InChI InChI=1S/C20H14FN3O4/c1-27-20(26)16-17(25)15(9-11-10-23-18-14(11)3-2-8-22-18)28-19(16)24-13-6-4-12(21)5-7-13/h2-10,24H,1H3,(H,22,23)/b15-9-
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n/an/a 4.30n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus expression syst...


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237688
PNG
(CHEMBL4091575)
Show SMILES COC(=O)C1=C(Nc2ccc(OC)cc2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|
Show InChI InChI=1S/C21H17N3O5/c1-27-14-7-5-13(6-8-14)24-20-17(21(26)28-2)18(25)16(29-20)10-12-11-23-19-15(12)4-3-9-22-19/h3-11,24H,1-2H3,(H,22,23)/b16-10-
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n/an/a 4.90n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50237672
PNG
(CHEMBL4089159)
Show SMILES COC(=O)C1=C(Nc2ccccc2Cl)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|
Show InChI InChI=1S/C20H14ClN3O4/c1-27-20(26)16-17(25)15(9-11-10-23-18-12(11)5-4-8-22-18)28-19(16)24-14-7-3-2-6-13(14)21/h2-10,24H,1H3,(H,22,23)/b15-9-
PDB
MMDB

KEGG

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n/an/a 5n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CLK1 (unknown origin) pretreated for 30 mins followed by substrate addition measured after 5 hrs in presence of 1 mM ATP


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50237672
PNG
(CHEMBL4089159)
Show SMILES COC(=O)C1=C(Nc2ccccc2Cl)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|
Show InChI InChI=1S/C20H14ClN3O4/c1-27-20(26)16-17(25)15(9-11-10-23-18-12(11)5-4-8-22-18)28-19(16)24-14-7-3-2-6-13(14)21/h2-10,24H,1H3,(H,22,23)/b15-9-
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n/an/a 5.30n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CLK2 (unknown origin) pretreated for 30 mins followed by substrate addition measured after 5 hrs in presence of 1 mM ATP


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237691
PNG
(CHEMBL4080872)
Show SMILES COC(=O)C1=C(Nc2ccc(C)cc2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|
Show InChI InChI=1S/C21H17N3O4/c1-12-5-7-14(8-6-12)24-20-17(21(26)27-2)18(25)16(28-20)10-13-11-23-19-15(13)4-3-9-22-19/h3-11,24H,1-2H3,(H,22,23)/b16-10-
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n/an/a 5.90n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus expression syst...


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237686
PNG
(CHEMBL4062056)
Show SMILES COC(=O)C1=C(Nc2ccc(Cl)cc2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|
Show InChI InChI=1S/C20H14ClN3O4/c1-27-20(26)16-17(25)15(9-11-10-23-18-14(11)3-2-8-22-18)28-19(16)24-13-6-4-12(21)5-7-13/h2-10,24H,1H3,(H,22,23)/b15-9-
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n/an/a 6.70n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus expression syst...


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237694
PNG
(CHEMBL4061554)
Show SMILES COC(=O)C1=C(Nc2cccnc2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|
Show InChI InChI=1S/C19H14N4O4/c1-26-19(25)15-16(24)14(27-18(15)23-12-4-2-6-20-10-12)8-11-9-22-17-13(11)5-3-7-21-17/h2-10,23H,1H3,(H,21,22)/b14-8-
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n/an/a 8n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of 1 nM AVP-induced cAMP accumulation in cells expressing human vasopressin V2 receptor


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237697
PNG
(CHEMBL4085578)
Show SMILES OC(=O)C1=C(Nc2ccccc2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:3|
Show InChI InChI=1S/C19H13N3O4/c23-16-14(9-11-10-21-17-13(11)7-4-8-20-17)26-18(15(16)19(24)25)22-12-5-2-1-3-6-12/h1-10,22H,(H,20,21)(H,24,25)/b14-9-
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n/an/a 9.90n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of 1 nM AVP-induced cAMP accumulation in cells expressing human vasopressin V2 receptor


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237675
PNG
(CHEMBL4087825)
Show SMILES COC(=O)C1=C(Nc2cc[nH]n2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|
Show InChI InChI=1S/C17H13N5O4/c1-25-17(24)13-14(23)11(26-16(13)21-12-4-6-20-22-12)7-9-8-19-15-10(9)3-2-5-18-15/h2-8H,1H3,(H,18,19)(H2,20,21,22)/b11-7-
PDB

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n/an/a 10n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus expression syst...


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237687
PNG
(CHEMBL4083793)
Show SMILES COC(=O)C1=C(Nc2ccccc2OC)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|
Show InChI InChI=1S/C21H17N3O5/c1-27-15-8-4-3-7-14(15)24-20-17(21(26)28-2)18(25)16(29-20)10-12-11-23-19-13(12)6-5-9-22-19/h3-11,24H,1-2H3,(H,22,23)/b16-10-
PDB

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n/an/a 12n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V1a receptor


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237699
PNG
(CHEMBL4060978)
Show SMILES COC(=O)C1=C(Nc2cccc(Cl)c2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|
Show InChI InChI=1S/C20H14ClN3O4/c1-27-20(26)16-17(25)15(8-11-10-23-18-14(11)6-3-7-22-18)28-19(16)24-13-5-2-4-12(21)9-13/h2-10,24H,1H3,(H,22,23)/b15-8-
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n/an/a 12n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of 1 nM AVP-induced cAMP accumulation in cells expressing human vasopressin V2 receptor


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237674
PNG
(CHEMBL4099816)
Show SMILES COC(=O)C1=C(Nc2cncnc2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|
Show InChI InChI=1S/C18H13N5O4/c1-26-18(25)14-15(24)13(27-17(14)23-11-7-19-9-20-8-11)5-10-6-22-16-12(10)3-2-4-21-16/h2-9,23H,1H3,(H,21,22)/b13-5-
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n/an/a 18n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of 1 nM AVP-induced cAMP accumulation in cells expressing human vasopressin V2 receptor


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237677
PNG
(CHEMBL4062207)
Show SMILES COC(=O)C1=C(NCc2ccccc2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|
Show InChI InChI=1S/C21H17N3O4/c1-27-21(26)17-18(25)16(10-14-12-23-19-15(14)8-5-9-22-19)28-20(17)24-11-13-6-3-2-4-7-13/h2-10,12,24H,11H2,1H3,(H,22,23)/b16-10-
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n/an/a 23n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus expression syst...


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237700
PNG
(CHEMBL4070681)
Show SMILES COC(=O)C1=C(Nc2cccc(OC)c2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|
Show InChI InChI=1S/C21H17N3O5/c1-27-14-6-3-5-13(10-14)24-20-17(21(26)28-2)18(25)16(29-20)9-12-11-23-19-15(12)7-4-8-22-19/h3-11,24H,1-2H3,(H,22,23)/b16-9-
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n/an/a 29n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus expression syst...


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237678
PNG
(CHEMBL4082371)
Show SMILES COC(=O)C1=C(NCCc2ccccc2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|
Show InChI InChI=1S/C22H19N3O4/c1-28-22(27)18-19(26)17(12-15-13-25-20-16(15)8-5-10-23-20)29-21(18)24-11-9-14-6-3-2-4-7-14/h2-8,10,12-13,24H,9,11H2,1H3,(H,23,25)/b17-12-
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n/an/a 30n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus expression syst...


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237693
PNG
(CHEMBL4083382)
Show SMILES COC(=O)C1=C(Nc2ccccn2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|
Show InChI InChI=1S/C19H14N4O4/c1-26-19(25)15-16(24)13(27-18(15)23-14-6-2-3-7-20-14)9-11-10-22-17-12(11)5-4-8-21-17/h2-10H,1H3,(H,20,23)(H,21,22)/b13-9-
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n/an/a 30n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus expression syst...


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237676
PNG
(CHEMBL4066501)
Show SMILES COC(=O)C1=C(Nc2ccc3ncccc3c2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|
Show InChI InChI=1S/C23H16N4O4/c1-30-23(29)19-20(28)18(11-14-12-26-21-16(14)5-3-9-25-21)31-22(19)27-15-6-7-17-13(10-15)4-2-8-24-17/h2-12,27H,1H3,(H,25,26)/b18-11-
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n/an/a 36n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus expression syst...


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50237672
PNG
(CHEMBL4089159)
Show SMILES COC(=O)C1=C(Nc2ccccc2Cl)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|
Show InChI InChI=1S/C20H14ClN3O4/c1-27-20(26)16-17(25)15(9-11-10-23-18-12(11)5-4-8-22-18)28-19(16)24-14-7-3-2-6-13(14)21/h2-10,24H,1H3,(H,22,23)/b15-9-
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n/an/a 37n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha (unknown origin) pretreated for 30 mins followed by substrate addition measured after 5 hrs in presence of 1 mM ATP


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237696
PNG
(CHEMBL4066739)
Show SMILES CCOC(=O)C1=C(Nc2ccccc2)O\C(=C/c2c[nH]c3ncc(Cl)cc23)C1=O |c:5|
Show InChI InChI=1S/C21H16ClN3O4/c1-2-28-21(27)17-18(26)16(29-20(17)25-14-6-4-3-5-7-14)8-12-10-23-19-15(12)9-13(22)11-24-19/h3-11,25H,2H2,1H3,(H,23,24)/b16-8-
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n/an/a 44n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus expression syst...


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50237672
PNG
(CHEMBL4089159)
Show SMILES COC(=O)C1=C(Nc2ccccc2Cl)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|
Show InChI InChI=1S/C20H14ClN3O4/c1-27-20(26)16-17(25)15(9-11-10-23-18-12(11)5-4-8-22-18)28-19(16)24-14-7-3-2-6-13(14)21/h2-10,24H,1H3,(H,22,23)/b15-9-
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n/an/a 51n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin) pretreated for 30 mins followed by substrate addition measured after 5 hrs in presence of 1 mM ATP


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50237672
PNG
(CHEMBL4089159)
Show SMILES COC(=O)C1=C(Nc2ccccc2Cl)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|
Show InChI InChI=1S/C20H14ClN3O4/c1-27-20(26)16-17(25)15(9-11-10-23-18-12(11)5-4-8-22-18)28-19(16)24-14-7-3-2-6-13(14)21/h2-10,24H,1H3,(H,22,23)/b15-9-
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n/an/a 53n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of 1 nM AVP-induced cAMP accumulation in cells expressing human vasopressin V2 receptor


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50237672
PNG
(CHEMBL4089159)
Show SMILES COC(=O)C1=C(Nc2ccccc2Cl)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|
Show InChI InChI=1S/C20H14ClN3O4/c1-27-20(26)16-17(25)15(9-11-10-23-18-12(11)5-4-8-22-18)28-19(16)24-14-7-3-2-6-13(14)21/h2-10,24H,1H3,(H,22,23)/b15-9-
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n/an/a 61n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Erk2 (unknown origin) pretreated for 30 mins followed by substrate addition measured after 5 hrs in presence of 1 mM ATP


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50237672
PNG
(CHEMBL4089159)
Show SMILES COC(=O)C1=C(Nc2ccccc2Cl)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|
Show InChI InChI=1S/C20H14ClN3O4/c1-27-20(26)16-17(25)15(9-11-10-23-18-12(11)5-4-8-22-18)28-19(16)24-14-7-3-2-6-13(14)21/h2-10,24H,1H3,(H,22,23)/b15-9-
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n/an/a 77n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin) pretreated for 30 mins followed by substrate addition measured after 5 hrs in presence of 1 mM ATP


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237672
PNG
(CHEMBL4089159)
Show SMILES COC(=O)C1=C(Nc2ccccc2Cl)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|
Show InChI InChI=1S/C20H14ClN3O4/c1-27-20(26)16-17(25)15(9-11-10-23-18-12(11)5-4-8-22-18)28-19(16)24-14-7-3-2-6-13(14)21/h2-10,24H,1H3,(H,22,23)/b15-9-
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n/an/a 191n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
ATP competitive inhibition of recombinant human Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus...


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50237672
PNG
(CHEMBL4089159)
Show SMILES COC(=O)C1=C(Nc2ccccc2Cl)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|
Show InChI InChI=1S/C20H14ClN3O4/c1-27-20(26)16-17(25)15(9-11-10-23-18-12(11)5-4-8-22-18)28-19(16)24-14-7-3-2-6-13(14)21/h2-10,24H,1H3,(H,22,23)/b15-9-
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n/an/a 278n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of 1 nM AVP-induced calcium mobilisation in cells expressing human vasopressin V1a receptor


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237685
PNG
(CHEMBL4099311)
Show SMILES O=C(N1CCCCC1)C1=C(Nc2ccccc2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:9|
Show InChI InChI=1S/C24H22N4O3/c29-21-19(14-16-15-26-22-18(16)10-7-11-25-22)31-23(27-17-8-3-1-4-9-17)20(21)24(30)28-12-5-2-6-13-28/h1,3-4,7-11,14-15,27H,2,5-6,12-13H2,(H,25,26)/b19-14-
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n/an/a 890n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V1a receptor


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237680
PNG
(CHEMBL4094263)
Show SMILES CCOC(=O)C1=C(Nc2ccccc2)O\C(=C/c2ccc(O)c(C)c2)C1=O |c:5|
Show InChI InChI=1S/C21H19NO5/c1-3-26-21(25)18-19(24)17(12-14-9-10-16(23)13(2)11-14)27-20(18)22-15-7-5-4-6-8-15/h4-12,22-23H,3H2,1-2H3/b17-12-
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n/an/a 1.20E+3n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus expression syst...


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237684
PNG
(CHEMBL4081292)
Show SMILES CCNC(=O)C1=C(Nc2ccccc2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:5|
Show InChI InChI=1S/C21H18N4O3/c1-2-22-20(27)17-18(26)16(28-21(17)25-14-7-4-3-5-8-14)11-13-12-24-19-15(13)9-6-10-23-19/h3-12,25H,2H2,1H3,(H,22,27)(H,23,24)/b16-11-
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n/an/a 1.60E+3n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus expression syst...


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237681
PNG
(CHEMBL4060703)
Show SMILES CCOC(=O)C1=C(Nc2ccccc2)O\C(=C/c2ccc3OCOc3c2)C1=O |c:5|
Show InChI InChI=1S/C21H17NO6/c1-2-25-21(24)18-19(23)17(28-20(18)22-14-6-4-3-5-7-14)11-13-8-9-15-16(10-13)27-12-26-15/h3-11,22H,2,12H2,1H3/b17-11-
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n/an/a 3.20E+3n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237679
PNG
(CHEMBL4086500)
Show SMILES CCOC(=O)C1=C(Nc2ccccc2)S\C(=C/c2c[nH]c3ncccc23)C1=O |c:5|
Show InChI InChI=1S/C21H17N3O3S/c1-2-27-21(26)17-18(25)16(28-20(17)24-14-7-4-3-5-8-14)11-13-12-23-19-15(13)9-6-10-22-19/h3-12,24H,2H2,1H3,(H,22,23)/b16-11-
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UniProtKB/SwissProt

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n/an/a>1.00E+4n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus expression syst...


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237683
PNG
(CHEMBL4064014)
Show SMILES NC(=O)C1=C(Nc2ccccc2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:3|
Show InChI InChI=1S/C19H14N4O3/c20-17(25)15-16(24)14(26-19(15)23-12-5-2-1-3-6-12)9-11-10-22-18-13(11)7-4-8-21-18/h1-10,23H,(H2,20,25)(H,21,22)/b14-9-
PDB

UniProtKB/SwissProt

antibodypedia
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus expression syst...


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%