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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cyclin-C' and Ligand = 'BDBM50154956'   
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))
BDBM50154956
PNG
(CHEMBL3775317)
Show SMILES Cn1cc(cn1)-c1ccc(Cc2n[nH]c3ccc(cc23)C(=O)N2CC[C@@H](O)C2)cc1 |r|
Show InChI InChI=1/C23H23N5O2/c1-27-13-18(12-24-27)16-4-2-15(3-5-16)10-22-20-11-17(6-7-21(20)25-26-22)23(30)28-9-8-19(29)14-28/h2-7,11-13,19,29H,8-10,14H2,1H3,(H,25,26)/t19-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Displacement of dye-labeled ATP competitive probe from recombinant human CDK8/Cyclin C incubated for 20 mins by Alexa647 probe-based FRET assay


Bioorg Med Chem Lett 26: 1443-51 (2016)


BindingDB Entry DOI: 10.7270/Q2NZ89G6
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50154956
PNG
(CHEMBL3775317)
Show SMILES Cn1cc(cn1)-c1ccc(Cc2n[nH]c3ccc(cc23)C(=O)N2CC[C@@H](O)C2)cc1 |r|
Show InChI InChI=1/C23H23N5O2/c1-27-13-18(12-24-27)16-4-2-15(3-5-16)10-22-20-11-17(6-7-21(20)25-26-22)23(30)28-9-8-19(29)14-28/h2-7,11-13,19,29H,8-10,14H2,1H3,(H,25,26)/t19-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity to CDK8/Cyclin C (unknown origin) by reporter displacement assay


Bioorg Med Chem Lett 26: 1443-51 (2016)


BindingDB Entry DOI: 10.7270/Q2NZ89G6
More data for this
Ligand-Target Pair