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BDBM50141612 (S)-4-[(S)-2-(2-Amino-2-methyl-butyrylamino)-3-methyl-butyrylamino]-3-hydroxy-6-(S)-methyl-heptanoic acid {2-[3-((S)-acetyl)-indol-1-yl]-1-methyl-2-oxo-ethyl}-amide::CHEMBL171865

SMILES: CCC(C)(N)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)n1cc(C(C)=O)c2ccccc12

InChI Key: InChIKey=CKQFBCFRBCDEST-FOKKSMFWSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50141612   
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)		BDBM50141612
PNG
((S)-4-[(S)-2-(2-Amino-2-methyl-butyrylamino)-3-met...)
Show SMILES CCC(C)(N)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)n1cc(C(C)=O)c2ccccc12
Show InChI InChI=1S/C31H47N5O6/c1-9-31(8,32)30(42)35-27(18(4)5)28(40)34-23(14-17(2)3)25(38)15-26(39)33-19(6)29(41)36-16-22(20(7)37)21-12-10-11-13-24(21)36/h10-13,16-19,23,25,27,38H,9,14-15,32H2,1-8H3,(H,33,39)(H,34,40)(H,35,42)/t19-,23-,25-,27-,31?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 3n/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