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BDBM50189442 CHEMBL3828503

SMILES: Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(cc12)N1CCOC1=O

InChI Key: InChIKey=ZFKIMLOZPZTQJP-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 = 50189442   
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))
BDBM50189442
PNG
(CHEMBL3828503)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(cc12)N1CCOC1=O
Show InChI InChI=1S/C22H18N4O2/c1-25-14-18(12-24-25)15-2-4-16(5-3-15)21-13-23-11-17-6-7-19(10-20(17)21)26-8-9-28-22(26)27/h2-7,10-14H,8-9H2,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.60n/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))
BDBM50189442
PNG
(CHEMBL3828503)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(cc12)N1CCOC1=O
Show InChI InChI=1S/C22H18N4O2/c1-25-14-18(12-24-25)15-2-4-16(5-3-15)21-13-23-11-17-6-7-19(10-20(17)21)26-8-9-28-22(26)27/h2-7,10-14H,8-9H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.70n/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