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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50098818   
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
Neutrophil elastase


(Homo sapiens (Human))		BDBM50098818
PNG
(2-{3-Methyl-2-[(pyridine-3-carbonyl)-amino]-butyry...)
Show SMILES CC(C)[C@H](NC(=O)c1cccnc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nnc(o1)C(C)(C)C
Show InChI InChI=1S/C32H40N6O5/c1-18(2)24(26(39)29-36-37-31(43-29)32(5,6)7)34-28(41)23-15-20-11-8-9-12-22(20)17-38(23)30(42)25(19(3)4)35-27(40)21-13-10-14-33-16-21/h8-14,16,18-19,23-25H,15,17H2,1-7H3,(H,34,41)(H,35,40)/t23-,24-,25-/m0/s1
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PubMed
 1.66n/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