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Compile Data Set for Download or QSAR

Found 3 hits of kd data for polymerid = 50006924,8281   
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
Hexokinase-2


(Homo sapiens (Human))
BDBM50512405
PNG
(CHEMBL4466819)
Show SMILES [H][C@]12CCC(=C)[C@@H](\C=C\C3=CCOC3=O)[C@]1(C)CCC(=O)N[C@@]2(C)COC(=O)CCCC[C@@H]1CCSS1 |r,t:9|
Show InChI InChI=1S/C28H39NO5S2/c1-19-8-11-23-27(2,22(19)10-9-20-13-16-33-26(20)32)15-12-24(30)29-28(23,3)18-34-25(31)7-5-4-6-21-14-17-35-36-21/h9-10,13,21-23H,1,4-8,11-12,14-18H2,2-3H3,(H,29,30)/b10-9+/t21-,22-,23+,27+,28+/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 5.12E+3n/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human HK2 expressed in Escherichia coli BL21(DE3) assessed as dissociation constant measured after 15 mins by microsc...


Eur J Med Chem 173: 282-293 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.022
BindingDB Entry DOI: 10.7270/Q2Z322ZG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50067880
PNG
(4-methoxy-7H-furo[3,2-g][1]benzopyran-7-one | 4-me...)
Show SMILES COc1c2ccoc2cc2oc(=O)ccc12
Show InChI InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3
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CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 1.77E+5n/an/an/an/an/a



University of Kiel

Curated by ChEMBL


Assay Description
Blockade of peak K+ currents against Kv1.5 gene


J Med Chem 41: 4542-9 (1998)


Article DOI: 10.1021/jm981032o
BindingDB Entry DOI: 10.7270/Q2B56HWK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50067878
PNG
(9-Methoxy-furo[3',2':4,5]benzo[1,2-b][1,4]oxazin-3...)
Show SMILES COc1c2ccoc2cc2oc(=O)cnc12
Show InChI InChI=1S/C11H7NO4/c1-14-11-6-2-3-15-7(6)4-8-10(11)12-5-9(13)16-8/h2-5H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.70E+5n/an/an/an/an/a



University of Kiel

Curated by ChEMBL


Assay Description
Blockade of peak K+ currents against Kv1.5 gene


J Med Chem 41: 4542-9 (1998)


Article DOI: 10.1021/jm981032o
BindingDB Entry DOI: 10.7270/Q2B56HWK
More data for this
Ligand-Target Pair