Ki Summary

Reaction Details

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Target

Neutrophil elastase

Ligand

BDBM211908

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

BDBM211908

BDBM211682

Name

BDBM211908

Synonyms:

US9290459, 48.2 | US9670166, 48.2

Type

Small organic molecule

Emp. Form.

C28H23F3N4O5S

Mol. Mass.

584.566

SMILES

CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)NC2C3CC2C3)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,wU:10.10,c:26,(-.3,4.09,;-1.64,3.32,;-2.41,1.99,;-.87,1.99,;-2.97,4.09,;-2.97,5.63,;-4.3,6.4,;-5.64,5.63,;-5.64,4.09,;-4.3,3.32,;-4.3,-.38,;-2.97,-1.15,;-1.64,-.38,;-1.64,1.15,;-.3,-1.15,;1.03,-.38,;2.52,-.78,;2.52,.76,;1.43,1.1,;2.97,1.1,;-2.97,-2.69,;-1.64,-3.46,;-4.3,-3.46,;-5.64,-2.69,;-5.64,-1.15,;-7.1,-.68,;-7.87,.65,;-8.01,-1.92,;-7.1,-3.17,;-4.3,-5,;-5.64,-5.77,;-5.64,-7.31,;-4.3,-8.08,;-2.92,-7.34,;-2.97,-5.77,;-1.59,-8.11,;-.25,-8.88,;-2.36,-9.45,;-.82,-6.78,;-4.3,7.94,;-4.3,9.48,)|

Structure