Ki Summary

Reaction Details

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Target

Neutrophil elastase

Ligand

BDBM211901

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

BDBM211901

BDBM211682

Name

BDBM211901

Synonyms:

US9290459, 43.16 | US9670166, 47.16

Type

Small organic molecule

Emp. Form.

C28H25F3N4O6S

Mol. Mass.

602.582

SMILES

CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)NCC2CC(O)C2)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,wU:10.10,c:26,(-1.61,5.02,;-2.94,4.25,;-3.71,2.92,;-2.17,2.92,;-4.28,5.02,;-4.28,6.56,;-5.61,7.33,;-6.94,6.56,;-6.94,5.02,;-5.61,4.25,;-5.61,.54,;-4.28,-.23,;-2.94,.54,;-2.94,2.08,;-1.61,-.23,;-.28,.54,;1.06,-.23,;1.46,-1.71,;2.94,-1.31,;4.28,-2.08,;2.55,.17,;-4.28,-1.77,;-2.94,-2.54,;-5.61,-2.54,;-6.94,-1.77,;-6.94,-.23,;-8.41,.25,;-9.18,1.58,;-9.31,-1,;-8.41,-2.24,;-5.61,-4.08,;-6.94,-4.85,;-6.94,-6.39,;-5.61,-7.16,;-4.23,-6.41,;-4.28,-4.85,;-2.9,-7.18,;-1.56,-7.95,;-3.67,-8.52,;-2.13,-5.85,;-5.61,8.87,;-5.61,10.41,)|

Structure