Ki Summary

Reaction Details

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Target

Neutrophil elastase

Ligand

BDBM211909

Substrate/Competitor

BDBM211682

Meas. Tech.

Neutrophil Elastase Assay

7.5±n/a

Temperature

298.15±n/a K

IC50

<1±n/a nM

Comments

extracted

Citation

Gnamm, C; Oost, T; Peters, S; Hoesch, H; Ries, UJ Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity US Patent US9290459 Publication Date 3/22/2016

More Info.:

Get all data from this article, Assay Method

Neutrophil elastase

Name:

Neutrophil elastase

Synonyms:

Type:

Enzyme

Mol. Mass.:

28532.38

Organism:

Homo sapiens (Human)

Description:

P08246

Residue:

267

Sequence:

MTLGRRLACLFLACVLPALLLGGTALASEIVGGRRARPHAWPFMVSLQLRGGHFCGATLI
APNFVMSAAHCVANVNVRAVRVVLGAHNLSRREPTRQVFAVQRIFENGYDPVNLLNDIVI
LQLNGSATINANVQVAQLPAQGRRLGNGVQCLAMGWGLLGRNRGIASVLQELNVTVVTSL
CRRSNVCTLVRGRQAGVCFGDSGSPLVCNGLIHGIASFVRGGCASGLYPDAFAPVAQFVN
WIDSIIQRSEDNPCPHPRDPDPASRTH

BDBM211909

BDBM211682

Name

BDBM211909

Synonyms:

US9290459, 48.3 | US9670166, 48.3

Type

Small organic molecule

Emp. Form.

C27H23F3N4O6S

Mol. Mass.

588.555

SMILES

CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)NC2CC(O)C2)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,wU:10.10,c:25,(-.94,3.93,;-2.28,3.16,;-3.05,1.83,;-1.51,1.83,;-3.61,3.93,;-3.61,5.47,;-4.94,6.24,;-6.28,5.47,;-6.28,3.93,;-4.94,3.16,;-4.94,-.54,;-3.61,-1.31,;-2.28,-.54,;-2.28,1,;-.94,-1.31,;.39,-.54,;1.88,-.94,;2.28,.54,;3.61,1.31,;.79,.94,;-3.61,-2.85,;-2.28,-3.62,;-4.94,-3.62,;-6.28,-2.85,;-6.28,-1.31,;-7.74,-.84,;-8.51,.5,;-8.65,-2.08,;-7.74,-3.33,;-4.94,-5.16,;-6.28,-5.93,;-6.28,-7.47,;-4.94,-8.24,;-3.56,-7.5,;-3.61,-5.93,;-2.23,-8.27,;-.9,-9.04,;-3,-9.61,;-1.46,-6.94,;-4.94,7.78,;-4.94,9.32,)|

Structure