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Compile Data Set for Download or QSAR

Found 3 hits of kd data for polymerid = 6241   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50506351
PNG
(CHEMBL4439133)
Show SMILES Cl.Cl.Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCCCN1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2n/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ATP-specific reporter probe binding to CDC7 (unknown origin) assessed as equilibrium dissociation constant incubated for 60 mins by pro...


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50506350
PNG
(SIMUROSERTIB | Simurosertib | TAK-931 | Tak 931 | ...)
Show SMILES Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CC2CCN1CC2
Show InChI InChI=1S/C17H19N5OS/c1-9-11(8-18-21-9)14-7-12-15(24-14)17(23)20-16(19-12)13-6-10-2-4-22(13)5-3-10/h7-8,10,13H,2-6H2,1H3,(H,18,21)(H,19,20,23)/t13-/m0/s1
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PC cid
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Article
PubMed
n/an/an/a 4.20n/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to CDC7 (unknown origin) assessed as equilibrium dissociation constant


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50253706
PNG
(CHEMBL4083927)
Show SMILES Cc1n[nH]cc1-c1cc2nc(CN3CCCC3)[nH]c(=O)c2s1
Show InChI InChI=1S/C15H17N5OS/c1-9-10(7-16-19-9)12-6-11-14(22-12)15(21)18-13(17-11)8-20-4-2-3-5-20/h6-7H,2-5,8H2,1H3,(H,16,19)(H,17,18,21)
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Similars

Article
PubMed
n/an/an/a 5.40n/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ATP-specific reporter probe binding to CDC7 (unknown origin) assessed as equilibrium dissociation constant incubated for 60 mins by pro...


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
More data for this
Ligand-Target Pair