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BDBM50155240 CHEMBL3775773

SMILES: Cn1cc(cn1)-c1ccc(Cc2n[nH]c3ccc(cc23)C(=O)N2CCC(F)(F)C2)cc1

InChI Key: InChIKey=CPFVIABLSKKULA-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50155240   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50155240
PNG
(CHEMBL3775773)
Show SMILES Cn1cc(cn1)-c1ccc(Cc2n[nH]c3ccc(cc23)C(=O)N2CCC(F)(F)C2)cc1
Show InChI InChI=1S/C23H21F2N5O/c1-29-13-18(12-26-29)16-4-2-15(3-5-16)10-21-19-11-17(6-7-20(19)27-28-21)22(31)30-9-8-23(24,25)14-30/h2-7,11-13H,8-10,14H2,1H3,(H,27,28)
PDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 27n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of CDK8 (unknown origin) expressed in 7dF3 clone of human HEK293 cells preincubated for 2 hrs followed by addition of beta-estradiol by lu...


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))
BDBM50155240
PNG
(CHEMBL3775773)
Show SMILES Cn1cc(cn1)-c1ccc(Cc2n[nH]c3ccc(cc23)C(=O)N2CCC(F)(F)C2)cc1
Show InChI InChI=1S/C23H21F2N5O/c1-29-13-18(12-26-29)16-4-2-15(3-5-16)10-21-19-11-17(6-7-20(19)27-28-21)22(31)30-9-8-23(24,25)14-30/h2-7,11-13H,8-10,14H2,1H3,(H,27,28)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5n/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