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BDBM50524864 CHEMBL4566670

SMILES: O[C@@]1(CCN(C1=O)c1ccccc1)C(=O)NCCc1cccs1

InChI Key: InChIKey=FZATYXICMFSLHR-KRWDZBQOSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50524864   
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))
BDBM50524864
PNG
(CHEMBL4566670)
Show SMILES O[C@@]1(CCN(C1=O)c1ccccc1)C(=O)NCCc1cccs1 |r|
Show InChI InChI=1S/C17H18N2O3S/c20-15(18-10-8-14-7-4-12-23-14)17(22)9-11-19(16(17)21)13-5-2-1-3-6-13/h1-7,12,22H,8-11H2,(H,18,20)/t17-/m0/s1
PDB
MMDB

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PC cid
PC sid
PDB
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PDB
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Merck Healthcare

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged MetAP2 (2 to 478 residues) using Met-Ala-Ser as substrate and manganese as co-facor preincubate...


J Med Chem 62: 5025-5039 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00041
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)