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BDBM50098830 1-{3-Methyl-2-[(pyridine-3-carbonyl)-amino]-butyryl}-2,3-dihydro-1H-indole-2-carboxylic acid [1-(5-tert-butyl-[1,3,4]oxadiazole-2-carbonyl)-2-methyl-propyl]-amide::CHEMBL23104

SMILES: CC(C)[C@H](NC(=O)c1cccnc1)C(=O)N1[C@@H](Cc2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)c1nnc(o1)C(C)(C)C

InChI Key: InChIKey=GLCVPZJCGCTPNX-HJOGWXRNSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50098830   
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))		BDBM50098830
PNG
(1-{3-Methyl-2-[(pyridine-3-carbonyl)-amino]-butyry...)
Show SMILES CC(C)[C@H](NC(=O)c1cccnc1)C(=O)N1[C@@H](Cc2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)c1nnc(o1)C(C)(C)C
Show InChI InChI=1S/C31H38N6O5/c1-17(2)23(25(38)28-35-36-30(42-28)31(5,6)7)33-27(40)22-15-19-11-8-9-13-21(19)37(22)29(41)24(18(3)4)34-26(39)20-12-10-14-32-16-20/h8-14,16-18,22-24H,15H2,1-7H3,(H,33,40)(H,34,39)/t22-,23-,24-/m0/s1
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PubMed
 5.10n/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