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BDBM36597 FOS-69

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

InChI Key: InChIKey=LEATYQBDJDMKPH-NDTCAMQSSA-N

Data: 1 IC50  1 EC50

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 = 36597   
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 Type 2 (MetAP2)


(Mus musculus (Mouse))
BDBM36597
PNG
(FOS-69)
Show SMILES CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@@]1(O)[C@]1(C)OC1CC=C(C)C)OC(=O)CCCCl
Show InChI InChI=1S/C20H31ClO6/c1-13(2)7-8-15-18(3,27-15)20(23)17(24-4)14(9-10-19(20)12-25-19)26-16(22)6-5-11-21/h7,14-15,17,23H,5-6,8-12H2,1-4H3/t14-,15?,17-,18-,19+,20+/m1/s1
PDB
MMDB

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B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.310n/an/a7.5n/a



Massachusetts Institute of Technology



Assay Description
Proliferation assay using bovine aortic endothelial cell (BAEC) line.


Chem Biol 4: 461-71 (1997)


Article DOI: 10.1124/jpet.103.062398
BindingDB Entry DOI: 10.7270/Q2NG4P04
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (human))
BDBM36597
PNG
(FOS-69)
Show SMILES CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@@]1(O)[C@]1(C)OC1CC=C(C)C)OC(=O)CCCCl
Show InChI InChI=1S/C20H31ClO6/c1-13(2)7-8-15-18(3,27-15)20(23)17(24-4)14(9-10-19(20)12-25-19)26-16(22)6-5-11-21/h7,14-15,17,23H,5-6,8-12H2,1-4H3/t14-,15?,17-,18-,19+,20+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.100n/an/an/an/a7.3537



Massachusetts Institute of Technology



Assay Description
Enzymatic assay using recombinant human type 2 methionine aminopeptidase (MetAP2).


Chem Biol 4: 461-71 (1997)


Article DOI: 10.1124/jpet.103.062398
BindingDB Entry DOI: 10.7270/Q2NG4P04
More data for this
Ligand-Target Pair
3D
3D Structure (docked)