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BDBM50352839 CHEMBL1823651

SMILES: Fc1cc2cc(ccc2cn1)C(=O)NC(C1CCNCC1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=QFMBYPBOVSGXGC-UHFFFAOYSA-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 = 50352839   
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 2


(Homo sapiens (Human))
BDBM50352839
PNG
(CHEMBL1823651)
Show SMILES Fc1cc2cc(ccc2cn1)C(=O)NC(C1CCNCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H20Cl2FN3O/c23-18-4-3-14(10-19(18)24)21(13-5-7-26-8-6-13)28-22(29)15-1-2-16-12-27-20(25)11-17(16)9-15/h1-4,9-13,21,26H,5-8H2,(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 21: 5191-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.056
BindingDB Entry DOI: 10.7270/Q21G0MNQ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50352839
PNG
(CHEMBL1823651)
Show SMILES Fc1cc2cc(ccc2cn1)C(=O)NC(C1CCNCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H20Cl2FN3O/c23-18-4-3-14(10-19(18)24)21(13-5-7-26-8-6-13)28-22(29)15-1-2-16-12-27-20(25)11-17(16)9-15/h1-4,9-13,21,26H,5-8H2,(H,28,29)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 21: 5191-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.056
BindingDB Entry DOI: 10.7270/Q21G0MNQ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50352839
PNG
(CHEMBL1823651)
Show SMILES Fc1cc2cc(ccc2cn1)C(=O)NC(C1CCNCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H20Cl2FN3O/c23-18-4-3-14(10-19(18)24)21(13-5-7-26-8-6-13)28-22(29)15-1-2-16-12-27-20(25)11-17(16)9-15/h1-4,9-13,21,26H,5-8H2,(H,28,29)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 390n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of AKT1-mediated PRAS40 phosphorylation in human U87MG cells after 1 hr in presence of 5% FBS by ELISA assay


Bioorg Med Chem Lett 21: 5191-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.056
BindingDB Entry DOI: 10.7270/Q21G0MNQ
More data for this
Ligand-Target Pair