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BDBM50141614 (1S,2S,5S)-3-Hydroxy-4-[2-((S)-hydroxy-6-(S)-4-{(S)-2-[(S)-2-(2-amino-2-methyl-butyrylamino)-3-methyl-butyrylamino]-3-methyl-butyrylamino}-3-methyl-heptanoylamino)-propionylamino]-6-methyl-heptanoic acid::CHEMBL169533

SMILES: CCC(C)(N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(O)=O

InChI Key: InChIKey=OQUMTPGNPJBXDI-NZCHPWFOSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50141614   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Pepsin A


(Porcine)		BDBM50141614
PNG
((1S,2S,5S)-3-Hydroxy-4-[2-((S)-hydroxy-6-(S)-4-{(S...)
Show SMILES CCC(C)(N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(O)=O
Show InChI InChI=1S/C34H64N6O9/c1-12-34(11,35)33(49)40-29(20(8)9)32(48)39-28(19(6)7)31(47)38-22(13-17(2)3)24(41)15-26(43)36-21(10)30(46)37-23(14-18(4)5)25(42)16-27(44)45/h17-25,28-29,41-42H,12-16,35H2,1-11H3,(H,36,43)(H,37,46)(H,38,47)(H,39,48)(H,40,49)(H,44,45)/t21-,22-,23-,24-,25-,28-,29-,34?/m0/s1
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KEGG

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UniChem

Similars
Article
PubMed
 0.0460n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against aspartyl protease pepsin

Bioorg Med Chem Lett 14: 855-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.030
BindingDB Entry DOI: 10.7270/Q26H4GV5
More data for this
Ligand-Target Pair