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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leukocyte elastase' and Ligand = 'BDBM50098837'   
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))
BDBM50098837
PNG
(2-(3H-Imidazole-4-carbonyl)-1,2,3,4-tetrahydro-iso...)
Show SMILES CC(C)[C@H](NC(=O)C1Cc2ccccc2CN1C(=O)c1cnc[nH]1)C(=O)c1nnc(o1)C(C)(C)C
Show InChI InChI=1S/C25H30N6O4/c1-14(2)19(20(32)22-29-30-24(35-22)25(3,4)5)28-21(33)18-10-15-8-6-7-9-16(15)12-31(18)23(34)17-11-26-13-27-17/h6-9,11,13-14,18-19H,10,12H2,1-5H3,(H,26,27)(H,28,33)/t18?,19-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
309n/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