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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rhizopuspepsin' and Ligand = 'BDBM50022289'   
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
Rhizopuspepsin


(Rhizopus microsporus var. chinensis)		BDBM50022289
PNG
(Acetate6-ethoxycarbonyl-5-hydroxy-4-{3-methyl-2-[3...)
Show SMILES CCOC(=O)CC(O)[C@H](CCC[NH3+])NC(=O)[C@H](NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C24H46N4O6/c1-8-34-20(31)13-18(29)17(10-9-11-25)26-23(32)22(16(6)7)28-24(33)21(15(4)5)27-19(30)12-14(2)3/h14-18,21-22,29H,8-13,25H2,1-7H3,(H,26,32)(H,27,30)(H,28,33)/p+1/t17-,18?,21?,22+/m0/s1
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Similars
PubMed
 47n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of R. chinensis pepsin

J Med Chem 30: 286-95 (1987)


BindingDB Entry DOI: 10.7270/Q2QF8RVZ
More data for this
Ligand-Target Pair