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SMILES: Nc1nc(OC2CCN(CC2)c2cc(Oc3cccc(Cl)c3)ncn2)ncc1F

InChI Key: InChIKey=WLJTUGDSXWMMDK-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50311553   
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
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311553
PNG
(2-(1-(6-(3-chlorophenoxy)pyrimidin-4-yl)piperidin-...)
Show SMILES Nc1nc(OC2CCN(CC2)c2cc(Oc3cccc(Cl)c3)ncn2)ncc1F
Show InChI InChI=1S/C19H18ClFN6O2/c20-12-2-1-3-14(8-12)28-17-9-16(24-11-25-17)27-6-4-13(5-7-27)29-19-23-10-15(21)18(22)26-19/h1-3,8-11,13H,4-7H2,(H2,22,23,26)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311553
PNG
(2-(1-(6-(3-chlorophenoxy)pyrimidin-4-yl)piperidin-...)
Show SMILES Nc1nc(OC2CCN(CC2)c2cc(Oc3cccc(Cl)c3)ncn2)ncc1F
Show InChI InChI=1S/C19H18ClFN6O2/c20-12-2-1-3-14(8-12)28-17-9-16(24-11-25-17)27-6-4-13(5-7-27)29-19-23-10-15(21)18(22)26-19/h1-3,8-11,13H,4-7H2,(H2,22,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 35n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM assessed as inhibition of Ara-C phosohorylation


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair