new BindingDB logo
myBDB logout

BDBM50189421 CHEMBL3827118

SMILES: COC1CN(C1)C(=O)c1ccc2cncc(-c3ccc(cc3)-c3cnn(C)c3)c2n1

InChI Key: InChIKey=MOIRAYXVFLWFTA-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50189421   
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-C


(Homo sapiens (Human))
BDBM50189421
PNG
(CHEMBL3827118)
Show SMILES COC1CN(C1)C(=O)c1ccc2cncc(-c3ccc(cc3)-c3cnn(C)c3)c2n1
Show InChI InChI=1S/C23H21N5O2/c1-27-12-18(10-25-27)15-3-5-16(6-4-15)20-11-24-9-17-7-8-21(26-22(17)20)23(29)28-13-19(14-28)30-2/h3-12,19H,13-14H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5.20n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive binding affinity to full length His-tagged human recombinant CDK8/cyclin C expressed in baculovirus after 20 mins in presence of Alexa647...


ACS Med Chem Lett 7: 573-8 (2016)


BindingDB Entry DOI: 10.7270/Q2N87CRB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50189421
PNG
(CHEMBL3827118)
Show SMILES COC1CN(C1)C(=O)c1ccc2cncc(-c3ccc(cc3)-c3cnn(C)c3)c2n1
Show InChI InChI=1S/C23H21N5O2/c1-27-12-18(10-25-27)15-3-5-16(6-4-15)20-11-24-9-17-7-8-21(26-22(17)20)23(29)28-13-19(14-28)30-2/h3-12,19H,13-14H2,1-2H3
PDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.5n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to CDK8 (unknown origin) expressed in human 7dF3 cells preincubated for 2 hrs followed by beta-oestradiol addition measured after 24...


ACS Med Chem Lett 7: 573-8 (2016)


BindingDB Entry DOI: 10.7270/Q2N87CRB
More data for this
Ligand-Target Pair