BindingDB logo
myBDB logout

BDBM50420306 CHEMBL2089060

SMILES: O=C(c1ccc[nH]1)c1nc2ccccc2[nH]1

InChI Key: InChIKey=WKGKIJSPPFRZEQ-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50420306   
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
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50420306
PNG
(CHEMBL2089060)
Show SMILES O=C(c1ccc[nH]1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C12H9N3O/c16-11(10-6-3-7-13-10)12-14-8-4-1-2-5-9(8)15-12/h1-7,13H,(H,14,15)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 7.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CDK6/cyclin D3 assessed as inhibition of pRb Ser780 phosphorylation after 30 mins by ELISA


ACS Med Chem Lett 3: 445-449 (2012)


Article DOI: 10.1021/ml200241a
BindingDB Entry DOI: 10.7270/Q2P270DJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)