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Compile Data Set for Download or QSAR

Found 4 hits of ic50 data for polymerid = 7117   
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
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM154583
PNG
(6-[4-({[(1S)-1-(isoquinolin-8-yl)ethyl]amino}methy...)
Show SMILES C[C@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12
Show InChI InChI=1/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 75n/an/an/an/an/an/a



AstraZeneca R&D



Assay Description
AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...


Chem Biol 21: 1486-96 (2014)

More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50385586
PNG
(CHEMBL2042530)
Show SMILES OC(=O)c1cc(CCc2cnc3cncnn23)c2CCCCc2c1
Show InChI InChI=1S/C18H18N4O2/c23-18(24)14-7-12-3-1-2-4-16(12)13(8-14)5-6-15-9-20-17-10-19-11-21-22(15)17/h7-11H,1-6H2,(H,23,24)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant AMPD3-1b expressed in Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM154582
PNG
(6-[4-({[(1R)-1-(isoquinolin-8-yl)ethyl]amino}methy...)
Show SMILES C[C@@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12
Show InChI InChI=1/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.30E+3n/an/an/an/an/an/a



AstraZeneca R&D



Assay Description
AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...


Chem Biol 21: 1486-96 (2014)

More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50385587
PNG
(CHEMBL2042529)
Show SMILES OC(=O)c1cccc(CCc2cnc3cncnn23)c1
Show InChI InChI=1S/C14H12N4O2/c19-14(20)11-3-1-2-10(6-11)4-5-12-7-16-13-8-15-9-17-18(12)13/h1-3,6-9H,4-5H2,(H,19,20)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 3.70E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant AMPD3-1b expressed in Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair