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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidase 1' and Ligand = 'BDBM50031695'   
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
Peptidase 1


(Dermatophagoides pteronyssinus (European house dus...)		BDBM50031695
PNG
(CHEMBL3360292)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NCC(=O)N1CCN(CC1)C(C)C |r|
Show InChI InChI=1S/C34H46N6O6/c1-22(2)29(30(42)34(46)35-21-28(41)40-18-16-39(17-19-40)23(3)4)38-31(43)24(5)36-33(45)27(20-25-12-8-6-9-13-25)37-32(44)26-14-10-7-11-15-26/h6-15,22-24,27,29H,16-21H2,1-5H3,(H,35,46)(H,36,45)(H,37,44)(H,38,43)/t24-,27-,29-/m0/s1
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Article
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n/an/a 4n/an/an/an/an/an/a



Domainex Ltd.

Curated by ChEMBL


Assay Description
Inhibition of house dust mite Derp-1 after 20 mins

J Med Chem 57: 9447-62 (2014)


Article DOI: 10.1021/jm501102h
BindingDB Entry DOI: 10.7270/Q2R212ZW
More data for this
Ligand-Target Pair