BindingDB logo
myBDB logout

BDBM50003644 CHEMBL485503

SMILES: COCCOc1ccc(CN\C=C2/C(=O)NC(=O)c3ccc(Br)cc23)cc1O

InChI Key: InChIKey=UPIZQESQERKFHQ-WJDWOHSUSA-N

Data: 3 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 3 hits for monomerid = 50003644   
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 4


(Homo sapiens (Human))
BDBM50003644
PNG
(CHEMBL485503)
Show SMILES COCCOc1ccc(CN\C=C2/C(=O)NC(=O)c3ccc(Br)cc23)cc1O
Show InChI InChI=1S/C20H19BrN2O5/c1-27-6-7-28-18-5-2-12(8-17(18)24)10-22-11-16-15-9-13(21)3-4-14(15)19(25)23-20(16)26/h2-5,8-9,11,22,24H,6-7,10H2,1H3,(H,23,25,26)/b16-11-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation


J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50003644
PNG
(CHEMBL485503)
Show SMILES COCCOc1ccc(CN\C=C2/C(=O)NC(=O)c3ccc(Br)cc23)cc1O
Show InChI InChI=1S/C20H19BrN2O5/c1-27-6-7-28-18-5-2-12(8-17(18)24)10-22-11-16-15-9-13(21)3-4-14(15)19(25)23-20(16)26/h2-5,8-9,11,22,24H,6-7,10H2,1H3,(H,23,25,26)/b16-11-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation


J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50003644
PNG
(CHEMBL485503)
Show SMILES COCCOc1ccc(CN\C=C2/C(=O)NC(=O)c3ccc(Br)cc23)cc1O
Show InChI InChI=1S/C20H19BrN2O5/c1-27-6-7-28-18-5-2-12(8-17(18)24)10-22-11-16-15-9-13(21)3-4-14(15)19(25)23-20(16)26/h2-5,8-9,11,22,24H,6-7,10H2,1H3,(H,23,25,26)/b16-11-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation


J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair