BindingDB logo
myBDB logout

null

SMILES: [Li+].[Li+].CC(C)C[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cccs1)C([O-])=O

InChI Key: InChIKey=NCDVNGIDJZSLOT-JYRWABTFSA-L

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 = 50070917   
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
Thermolysin


(Bacillus thermoproteolyticus)		BDBM50070917
PNG
(CHEMBL3409528)
Show SMILES [Li+].[Li+].CC(C)C[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cccs1)C([O-])=O |r|
Show InChI InChI=1S/C22H30N3O7PS.2Li/c1-15(2)11-18(20(26)24-19(21(27)28)12-17-9-6-10-34-17)25-33(30,31)14-23-22(29)32-13-16-7-4-3-5-8-16;;/h3-10,15,18-19H,11-14H2,1-2H3,(H,23,29)(H,24,26)(H,27,28)(H2,25,30,31);;/q;2*+1/p-2/t18-,19-;;/m0../s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 24n/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