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BDBM50023887 4-(6-Amino-purin-9-yl)-2-methyl-but-2-en-1-ol::CHEMBL415930

SMILES: C\C(CO)=C\Cn1cnc2c(N)ncnc12

InChI Key: InChIKey=YIWWRMQTCCDFRT-UQCOIBPSSA-N

Data: 1 KI  1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50023887   
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
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50023887
PNG
(4-(6-Amino-purin-9-yl)-2-methyl-but-2-en-1-ol | CH...)
Show SMILES C\C(CO)=C\Cn1cnc2c(N)ncnc12
Show InChI InChI=1S/C10H13N5O/c1-7(4-16)2-3-15-6-14-8-9(11)12-5-13-10(8)15/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13)/b7-2-
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

PubMed
170n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition against bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase


J Med Chem 31: 1729-38 (1988)


BindingDB Entry DOI: 10.7270/Q2HM5920
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Mus musculus)
BDBM50023887
PNG
(4-(6-Amino-purin-9-yl)-2-methyl-but-2-en-1-ol | CH...)
Show SMILES C\C(CO)=C\Cn1cnc2c(N)ncnc12
Show InChI InChI=1S/C10H13N5O/c1-7(4-16)2-3-15-6-14-8-9(11)12-5-13-10(8)15/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13)/b7-2-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.00E+5n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Evaluated for the 50% inhibition of S-Adenosyl-homocysteine (AdoHcy) hydrolase L929 lysate from murine L-929 cells


J Med Chem 31: 1729-38 (1988)


BindingDB Entry DOI: 10.7270/Q2HM5920
More data for this
Ligand-Target Pair