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BDBM50396787 CHEMBL2172737

SMILES: CC(C)C[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)NCC([O-])=O

InChI Key: InChIKey=NGPZALJIIRWBPS-AWEZNQCLSA-L

Data: 2 KI

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50396787   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50396787
PNG
(CHEMBL2172737)
Show SMILES CC(C)C[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)NCC([O-])=O
Show InChI InChI=1S/C17H26N3O7P/c1-12(2)8-14(16(23)18-9-15(21)22)20-28(25,26)11-19-17(24)27-10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,18,23)(H,19,24)(H,21,22)(H2,20,25,26)/p-2/t14-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
472n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus thermoproteolyticus thermolysin by UV-VIS spectrophotometric analysis in presence of 2-furanacryloyl-Gly-Leu-NH2


J Med Chem 55: 8283-302 (2012)


Article DOI: 10.1021/jm300472k
BindingDB Entry DOI: 10.7270/Q27M092M
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50396787
PNG
(CHEMBL2172737)
Show SMILES CC(C)C[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)NCC([O-])=O
Show InChI InChI=1S/C17H26N3O7P/c1-12(2)8-14(16(23)18-9-15(21)22)20-28(25,26)11-19-17(24)27-10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,18,23)(H,19,24)(H,21,22)(H2,20,25,26)/p-2/t14-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
476n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay


Eur J Med Chem 90: 897-915 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.056
BindingDB Entry DOI: 10.7270/Q2FJ2JFC
More data for this
Ligand-Target Pair