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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-C' and Ligand = 'BDBM50191357'   
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
Cyclin-C


(Homo sapiens (Human))
BDBM50191357
PNG
(CHEMBL3903492)
Show SMILES Cc1n[nH]c2ncc(cc12)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C18H17ClN4O/c1-11-15-9-13(10-20-17(15)22-21-11)18(24)23-8-2-3-16(23)12-4-6-14(19)7-5-12/h4-7,9-10,16H,2-3,8H2,1H3,(H,20,21,22)/t16-/m0/s1
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MCE
PC cid
PC sid
PDB
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PDB
PubMed
n/an/a 2.60n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of Alexa647 tracer binding to full length recombinant human His-tagged CDK8/cyclin C expressed in Baculovirus expression system preincubat...


J Med Chem 59: 9337-9349 (2016)


BindingDB Entry DOI: 10.7270/Q2K64M1C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)