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BDBM50194623 (1S,5S,6R,E)-5-(hydroxymethyl)-1-methoxy-6-(6-methylhepta-2,5-dien-2-yl)bicyclo[3.1.0]hexan-2-one::CHEMBL213526::Fumarranol Analog, 8

SMILES: [#6]-[#8][C@@]12[#6](\[#6](-[#6])=[#6]\[#6]\[#6]=[#6](\[#6])-[#6])[C@]1([#6]-[#8])[#6]-[#6]-[#6]2=O

InChI Key: InChIKey=NTBXTHBAQMHZTL-QBJZEIPOSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50194623   
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
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50194623
PNG
((1S,5S,6R,E)-5-(hydroxymethyl)-1-methoxy-6-(6-meth...)
Show SMILES [#6]-[#8][C@@]12[#6](\[#6](-[#6])=[#6]\[#6]\[#6]=[#6](\[#6])-[#6])[C@]1([#6]-[#8])[#6]-[#6]-[#6]2=O
Show InChI InChI=1S/C16H24O3/c1-11(2)6-5-7-12(3)14-15(10-17)9-8-13(18)16(14,15)19-4/h6-7,14,17H,5,8-10H2,1-4H3/b12-7+/t14?,15-,16+/m1/s1
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.38E+4n/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human MetAP2


J Med Chem 49: 5645-8 (2006)


Article DOI: 10.1021/jm060559v
BindingDB Entry DOI: 10.7270/Q2PN959W
More data for this
Ligand-Target Pair
Methionine aminopeptidase (MetAP2)


(Plasmodium falciparum)
BDBM50194623
PNG
((1S,5S,6R,E)-5-(hydroxymethyl)-1-methoxy-6-(6-meth...)
Show SMILES [#6]-[#8][C@@]12[#6](\[#6](-[#6])=[#6]\[#6]\[#6]=[#6](\[#6])-[#6])[C@]1([#6]-[#8])[#6]-[#6]-[#6]2=O
Show InChI InChI=1S/C16H24O3/c1-11(2)6-5-7-12(3)14-15(10-17)9-8-13(18)16(14,15)19-4/h6-7,14,17H,5,8-10H2,1-4H3/b12-7+/t14?,15-,16+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Johns Hopkins School of Medicine



Assay Description
Enzyme affinity assay using Fumarranol analogs with plasmodium falciparum methionine aminopeptidases (PfMetAPs).


Chem Biol 16: 193-202 (2009)


Article DOI: 10.1016/j.chembiol.2009.01.006
BindingDB Entry DOI: 10.7270/Q2WS8RQ5
More data for this
Ligand-Target Pair