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BDBM24969 [(2-{[(benzyloxy)carbonyl]amino}acetamido)methyl](methyl)sulfanylidenephosphinous acid::thiophosphinic acid derivative, 24

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

InChI Key: InChIKey=VKQPGHNXUFJXTA-UHFFFAOYSA-N

Data: 2 KI  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 = 24969   
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)
BDBM24969
PNG
([(2-{[(benzyloxy)carbonyl]amino}acetamido)methyl](...)
Show SMILES CP(O)(=S)CNC(=O)CNC(=O)OCc1ccccc1
Show InChI InChI=1S/C12H17N2O4PS/c1-19(17,20)9-14-11(15)7-13-12(16)18-8-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,16)(H,14,15)(H,17,20)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
170 -9.38 1.80E+3n/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)
BDBM24969
PNG
([(2-{[(benzyloxy)carbonyl]amino}acetamido)methyl](...)
Show SMILES CP(O)(=S)CNC(=O)CNC(=O)OCc1ccccc1
Show InChI InChI=1S/C12H17N2O4PS/c1-19(17,20)9-14-11(15)7-13-12(16)18-8-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,16)(H,14,15)(H,17,20)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
450 -8.80 3.10E+3n/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