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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rhizopuspepsin' and Ligand = 'BDBM50022290'   
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)		BDBM50022290
PNG
(2-(3-Hydroxy-6-methyl-4-{3-methyl-2-[3-methyl-2-(3...)
Show SMILES COC(=O)C(Cc1ccccc1)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C33H54N4O7/c1-19(2)15-24(26(38)18-28(40)34-25(33(43)44-9)17-23-13-11-10-12-14-23)35-31(41)30(22(7)8)37-32(42)29(21(5)6)36-27(39)16-20(3)4/h10-14,19-22,24-26,29-30,38H,15-18H2,1-9H3,(H,34,40)(H,35,41)(H,36,39)(H,37,42)/t24-,25?,26-,29-,30-/m0/s1
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PubMed
 11n/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