Found 2 hits Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM211901' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Neutrophil elastase
(Homo sapiens (Human)) | BDBM211901
(US9290459, 43.16 | US9670166, 47.16)Show 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,)| Show InChI InChI=1S/C28H25F3N4O6S/c1-42(40,41)23-11-15(13-32)5-6-20(23)25-24-21(7-8-22(24)37)34(18-4-2-3-17(12-18)28(29,30)31)27(39)35(25)26(38)33-14-16-9-19(36)10-16/h2-6,11-12,16,19,25,36H,7-10,14H2,1H3,(H,33,38)/t16?,19?,25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Boehringer Ingelheim International GmbH
US Patent
| Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach... |
US Patent US9670166 (2017)
BindingDB Entry DOI: 10.7270/Q25Q4T8F |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM211901
(US9290459, 43.16 | US9670166, 47.16)Show 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,)| Show InChI InChI=1S/C28H25F3N4O6S/c1-42(40,41)23-11-15(13-32)5-6-20(23)25-24-21(7-8-22(24)37)34(18-4-2-3-17(12-18)28(29,30)31)27(39)35(25)26(38)33-14-16-9-19(36)10-16/h2-6,11-12,16,19,25,36H,7-10,14H2,1H3,(H,33,38)/t16?,19?,25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Boehringer Ingelheim International GmbH
US Patent
| Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach... |
US Patent US9290459 (2016)
BindingDB Entry DOI: 10.7270/Q2KS6QD5 |
More data for this
Ligand-Target Pair | |
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