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BDBM24968 ({[(benzyloxy)carbonyl]amino}methyl)(methyl)phosphinic acid::organophosphorus derivative, 19

SMILES: CP(O)(=O)CNC(=O)OCc1ccccc1

InChI Key: InChIKey=WJYZLHFBKNWWDZ-UHFFFAOYSA-N

Data: 2 KI  2 IC50

PDB links: 3 PDB IDs contain this monomer as substructures. 3 PDB IDs contain inhibitors having a similarity of 90% to 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 2 hits for monomerid = 24968   
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
Urea Amidohydrolase


(Bacillus pasteurii)
BDBM24968
PNG
(({[(benzyloxy)carbonyl]amino}methyl)(methyl)phosph...)
Show SMILES CP(O)(=O)CNC(=O)OCc1ccccc1
Show InChI InChI=1S/C10H14NO4P/c1-16(13,14)8-11-10(12)15-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)(H,13,14)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
4.30E+4 -6.05 1.23E+5n/an/an/an/a7.030



Wroclaw University of Technology



Assay Description
Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...


J Med Chem 51: 5736-44 (2008)


Article DOI: 10.1021/jm800570q
BindingDB Entry DOI: 10.7270/Q2PR7T91
More data for this
Ligand-Target Pair
Urea Amidohydrolase


(Proteus vulgaris)
BDBM24968
PNG
(({[(benzyloxy)carbonyl]amino}methyl)(methyl)phosph...)
Show SMILES CP(O)(=O)CNC(=O)OCc1ccccc1
Show InChI InChI=1S/C10H14NO4P/c1-16(13,14)8-11-10(12)15-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)(H,13,14)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
6.50E+4 -5.80 3.19E+5n/an/an/an/a7.030



Wroclaw University of Technology



Assay Description
Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...


J Med Chem 51: 5736-44 (2008)


Article DOI: 10.1021/jm800570q
BindingDB Entry DOI: 10.7270/Q2PR7T91
More data for this
Ligand-Target Pair