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Compile Data Set for Download or QSAR

Found 6 hits of ic50 data for polymerid = 50006541,7112   
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 1 (hAMPD1)


(Homo sapiens (Human))
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

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 24n/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 1 (hAMPD1)


(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

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 38n/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 1


(Oryctolagus cuniculus)
BDBM50004698
PNG
(CHEMBL1160282)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)c1n[nH]c2cncnc12
Show InChI InChI=1S/C10H13N4O7P/c15-8-5(2-20-22(17,18)19)21-10(9(8)16)7-6-4(13-14-7)1-11-3-12-6/h1,3,5,8-10,15-16H,2H2,(H,13,14)(H2,17,18,19)/t5-,8-,9-,10+/m1/s1
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 70n/an/an/an/an/an/a



AgrEvo UK Limited

Curated by ChEMBL


Assay Description
Inhibition of Oryctolagus cuniculus (rabbit) muscle adenylate deaminase


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 1 (hAMPD1)


(Homo sapiens (Human))
BDBM50096172
PNG
(1-Bromo-4-[2-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5...)
Show SMILES OC1CNC=Nc2c1ncn2CCc1cc(C(O)=O)c(Br)c2CCCCc12
Show InChI InChI=1S/C19H21BrN4O3/c20-16-13-4-2-1-3-12(13)11(7-14(16)19(26)27)5-6-24-10-23-17-15(25)8-21-9-22-18(17)24/h7,9-10,15,25H,1-6,8H2,(H,21,22)(H,26,27)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 500n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human skeletal muscle AMPD1


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 1 (hAMPD1)


(Homo sapiens (Human))
BDBM154581
PNG
(6-[4-({[(1R)-1-(naphthalen-1-yl)ethyl]amino}methyl...)
Show SMILES C[C@@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccccc12
Show InChI InChI=1/C25H22N2O2/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)26-15-18-9-11-20(12-10-18)24-14-13-21(16-27-24)25(28)29/h2-14,16-17,26H,15H2,1H3,(H,28,29)/t17-/s2
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 620n/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 1 (hAMPD1)


(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

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.20E+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