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BDBM50023992 2-[(2,2-Dimethyl-cyclopropanecarbonyl)-amino]-7-phenylsulfanyl-hept-2-enoic acid::CHEMBL12037

SMILES: CC1(C)CC1C(=O)N\C(=C/CCCCSc1ccccc1)C(O)=O

InChI Key: InChIKey=MTPHFQMAMCDFAH-WJDWOHSUSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50023992   
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
Renal dipeptidase


(GUINEA PIG)
BDBM50023992
PNG
(2-[(2,2-Dimethyl-cyclopropanecarbonyl)-amino]-7-ph...)
Show SMILES CC1(C)CC1C(=O)N\C(=C/CCCCSc1ccccc1)C(O)=O
Show InChI InChI=1S/C19H25NO3S/c1-19(2)13-15(19)17(21)20-16(18(22)23)11-7-4-8-12-24-14-9-5-3-6-10-14/h3,5-6,9-11,15H,4,7-8,12-13H2,1-2H3,(H,20,21)(H,22,23)/b16-11-
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase renal dipeptidase


Citation and Details
More data for this
Ligand-Target Pair