BindingDB logo
myBDB logout

null

SMILES: COc1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F

InChI Key: InChIKey=DHXXXXWXJHXVDH-ACBHZAAOSA-N

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 = 50058343   
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
Neutrophil elastase


(Homo sapiens (Human))		BDBM50058343
PNG
(1-[(S)-2-(4-Methoxy-benzenesulfonylamino)-3-methyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H32F3N3O6S/c1-13(2)18(20(30)23(24,25)26)27-21(31)17-7-6-12-29(17)22(32)19(14(3)4)28-36(33,34)16-10-8-15(35-5)9-11-16/h8-11,13-14,17-19,28H,6-7,12H2,1-5H3,(H,27,31)/t17?,18?,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 8n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay

J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair