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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'AMP deaminase 2 (rAMPD2)'   
Target
(Institution)
LigandTarget
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
AMP deaminase 2 (rAMPD2)


(Rattus norvegicus (Rat))
BDBM154584
PNG
(4-[4-({[(1R)-1-(isoquinolin-8-yl)ethyl]amino}methy...)
Show SMILES COc1cc(ccc1C(O)=O)-c1ccc(CN[C@H](C)c2cccc3ccncc23)cc1
Show InChI InChI=1/C26H24N2O3/c1-17(22-5-3-4-20-12-13-27-16-24(20)22)28-15-18-6-8-19(9-7-18)21-10-11-23(26(29)30)25(14-21)31-2/h3-14,16-17,28H,15H2,1-2H3,(H,29,30)/t17-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
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Article
PubMed
n/an/a 300n/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...


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 2 (rAMPD2)


(Rattus norvegicus (Rat))
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
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 570n/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...


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 2 (rAMPD2)


(Rattus norvegicus (Rat))
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

AffyNet 
Article
PubMed
n/an/a 3.20E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair