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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenylate kinase isoenzyme 1' AND taxid = 9986   
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
Adenylate kinase isoenzyme 1


(Oryctolagus cuniculus)
BDBM50277565
PNG
(5-(6-amino-9-neopentyl-9H-purin-8-yl)furan-2-ylpho...)
Show SMILES CC(C)(C)Cn1c(nc2c(N)ncnc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C14H18N5O4P/c1-14(2,3)6-19-12(8-4-5-9(23-8)24(20,21)22)18-10-11(15)16-7-17-13(10)19/h4-5,7H,6H2,1-3H3,(H2,15,16,17)(H2,20,21,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle adenylate kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenylate kinase isoenzyme 1


(Oryctolagus cuniculus)
BDBM50277972
PNG
(CHEMBL519503 | [5-(6-Amino-9-phenethyl-9H-purin-8-...)
Show SMILES Nc1ncnc2n(CCc3ccccc3)c(nc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C17H16N5O4P/c18-15-14-17(20-10-19-15)22(9-8-11-4-2-1-3-5-11)16(21-14)12-6-7-13(26-12)27(23,24)25/h1-7,10H,8-9H2,(H2,18,19,20)(H2,23,24,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle adenylate kinase


Citation and Details
More data for this
Ligand-Target Pair