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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rhizopuspepsin' and Ligand = 'BDBM50022287'   
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)		BDBM50022287
PNG
(8-Acetylamino-3-hydroxy-4-{3-methyl-2-[3-methyl-2-...)
Show SMILES CCOC(=O)C[C@H](O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C27H50N4O7/c1-9-38-23(35)15-21(33)20(12-10-11-13-28-19(8)32)29-26(36)25(18(6)7)31-27(37)24(17(4)5)30-22(34)14-16(2)3/h16-18,20-21,24-25,33H,9-15H2,1-8H3,(H,28,32)(H,29,36)(H,30,34)(H,31,37)/t20-,21-,24?,25+/m0/s1
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PC sid
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Similars
PubMed
 29n/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