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Found 2 hits Enz. Inhib. hit(s) with Target = 'Hexokinase HKDC1 [W721R]' and Ligand = 'BDBM80771'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hexokinase HKDC1 [W721R]


(Homo sapiens (Human))
BDBM80771
PNG
(4-[4-(4-tert-butylphenoxy)-6-methyl-2-pyrimidinyl]...)
Show SMILES Cc1cc(Oc2ccc(cc2)C(C)(C)C)nc(n1)N1CCOCC1
Show InChI InChI=1S/C19H25N3O2/c1-14-13-17(21-18(20-14)22-9-11-23-12-10-22)24-16-7-5-15(6-8-16)19(2,3)4/h5-8,13H,9-12H2,1-4H3
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q23F4N3R
More data for this
Ligand-Target Pair
Hexokinase HKDC1 [W721R]


(Homo sapiens (Human))
BDBM80771
PNG
(4-[4-(4-tert-butylphenoxy)-6-methyl-2-pyrimidinyl]...)
Show SMILES Cc1cc(Oc2ccc(cc2)C(C)(C)C)nc(n1)N1CCOCC1
Show InChI InChI=1S/C19H25N3O2/c1-14-13-17(21-18(20-14)22-9-11-23-12-10-22)24-16-7-5-15(6-8-16)19(2,3)4/h5-8,13H,9-12H2,1-4H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>8.00E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2R78CQV
More data for this
Ligand-Target Pair