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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leukocyte elastase' and Ligand = 'BDBM50098834'   
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
Leukocyte elastase


(Homo sapiens (Human))
BDBM50098834
PNG
(1-(3H-Imidazole-4-carbonyl)-2,3-dihydro-1H-indole-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1cnc[nH]1)C(=O)c1nnc(o1)C(C)(C)C
Show InChI InChI=1S/C24H28N6O4/c1-13(2)18(19(31)21-28-29-23(34-21)24(3,4)5)27-20(32)17-10-14-8-6-7-9-16(14)30(17)22(33)15-11-25-12-26-15/h6-9,11-13,17-18H,10H2,1-5H3,(H,25,26)(H,27,32)/t17-,18-/m0/s1
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MMDB

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PC cid
PC sid
UniChem
PubMed
79.7n/an/an/an/an/an/an/an/a



Cortech, Inc.

Curated by ChEMBL


Assay Description
Binding constant derived from inhibition of elastase catalyzed hydrolysis of synthetic substrate


J Med Chem 44: 1268-85 (2001)


BindingDB Entry DOI: 10.7270/Q2B858VW
More data for this
Ligand-Target Pair