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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pancreatic elastase' and Ligand = 'BDBM50034576'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Pancreatic elastase


(Sus scrofa)
BDBM50034576
PNG
(CHEMBL288176 | Peptide boronate)
Show SMILES CCC(C)(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C42H54BN3O6/c1-7-40(2,3)38(43-51-35-25-31-24-34(41(31,4)5)42(35,6)52-43)45-36(47)33-18-13-21-46(33)37(48)32(44-39(49)50-26-27-14-9-8-10-15-27)23-28-19-20-29-16-11-12-17-30(29)22-28/h8-12,14-17,19-20,22,31-35,38H,7,13,18,21,23-26H2,1-6H3,(H,44,49)(H,45,47)/t31?,32-,33-,34?,35+,38?,42-/m0/s1
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.20n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards porcine pancreatic elastase


J Med Chem 38: 1511-22 (1995)


BindingDB Entry DOI: 10.7270/Q2QR4W57
More data for this
Ligand-Target Pair