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BDBM50005170 CHEMBL158647::N-{4-[(1-{Indan-2-yl-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-carbamoyl}-2-methyl-propylcarbamoyl)-methoxyimino-methyl]-thiazol-2-yl}-succinamic acid ethyl ester

SMILES: CCOC(=O)CCC(=O)Nc1nc(cs1)C(=N/OC)\C(=O)NC(C(C)C)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1Cc2ccccc2C1

InChI Key: InChIKey=LXWLHQGOHNOQHE-JSKGAOECSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50005170   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Leukocyte elastase


(Homo sapiens (Human))		BDBM50005170
PNG
(CHEMBL158647 | N-{4-[(1-{Indan-2-yl-[(3,3,3-triflu...)
Show SMILES CCOC(=O)CCC(=O)Nc1nc(cs1)C(=N/OC)\C(=O)NC(C(C)C)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1Cc2ccccc2C1
Show InChI InChI=1S/C34H43F3N6O8S/c1-7-51-26(46)13-12-24(44)40-33-38-23(17-52-33)29(42-50-6)31(48)41-28(19(4)5)32(49)43(22-14-20-10-8-9-11-21(20)15-22)16-25(45)39-27(18(2)3)30(47)34(35,36)37/h8-11,17-19,22,27-28H,7,12-16H2,1-6H3,(H,39,45)(H,41,48)(H,38,40,44)/b42-29+
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PC cid
PC sid
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n/an/a 452n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase

J Med Chem 35: 641-62 (1992)


BindingDB Entry DOI: 10.7270/Q2K074X9
More data for this
Ligand-Target Pair