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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)' and Ligand = 'BDBM50426463'   
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
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50426463
PNG
(CHEMBL2322675)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1cc(cc(n1)C#N)-c1c[nH]c2ncccc12 |r,wU:4.7,wD:1.0,(19.06,-40.41,;17.72,-41.18,;16.38,-40.41,;15.04,-41.18,;15.06,-42.71,;16.39,-43.49,;17.71,-42.72,;13.73,-43.48,;12.39,-42.72,;11.05,-43.49,;9.72,-42.72,;9.72,-41.17,;11.05,-40.4,;12.39,-41.17,;11.04,-38.87,;11.03,-37.33,;8.39,-43.49,;8.22,-45.02,;6.72,-45.34,;5.94,-44,;4.44,-43.69,;3.97,-42.23,;5,-41.08,;6.5,-41.4,;6.98,-42.86,)|
Show InChI InChI=1S/C19H19N5O/c20-10-14-8-12(17-11-22-19-16(17)2-1-7-21-19)9-18(24-14)23-13-3-5-15(25)6-4-13/h1-2,7-9,11,13,15,25H,3-6H2,(H,21,22)(H,23,24)/t13-,15-
PDB

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PC cid
PC sid
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Article
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5.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr


ACS Med Chem Lett 4: 211-5 (2013)


Article DOI: 10.1021/ml300348c
BindingDB Entry DOI: 10.7270/Q2DR2WT6
More data for this
Ligand-Target Pair