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BDBM50012626 3-hydroxy-4-[2-methyl-1-[2-methyl-1-benzyloxycarboxamido-(1S)-propylcarboxamido]-(1S)-propylcarboxamido]octanoic acid::CHEMBL72555

SMILES: CCCCC(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C)C(O)CC(O)=O

InChI Key: InChIKey=QSTGMGZXIKRTIF-AEDUHMMZSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50012626   
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)
BDBM50012626
PNG
(3-hydroxy-4-[2-methyl-1-[2-methyl-1-benzyloxycarbo...)
Show SMILES CCCCC(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C)C(O)CC(O)=O
Show InChI InChI=1S/C26H41N3O7/c1-6-7-13-19(20(30)14-21(31)32)27-24(33)22(16(2)3)28-25(34)23(17(4)5)29-26(35)36-15-18-11-9-8-10-12-18/h8-12,16-17,19-20,22-23,30H,6-7,13-15H2,1-5H3,(H,27,33)(H,28,34)(H,29,35)(H,31,32)/t19?,20?,22-,23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.00000300n/an/an/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Compound was measured for the apparent inhibition constant at pepsin


J Med Chem 34: 2298-300 (1991)

More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50012626
PNG
(3-hydroxy-4-[2-methyl-1-[2-methyl-1-benzyloxycarbo...)
Show SMILES CCCCC(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C)C(O)CC(O)=O
Show InChI InChI=1S/C26H41N3O7/c1-6-7-13-19(20(30)14-21(31)32)27-24(33)22(16(2)3)28-25(34)23(17(4)5)29-26(35)36-15-18-11-9-8-10-12-18/h8-12,16-17,19-20,22-23,30H,6-7,13-15H2,1-5H3,(H,27,33)(H,28,34)(H,29,35)(H,31,32)/t19?,20?,22-,23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 10n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of pepsin hydrolysis of hemoglobin.


J Med Chem 34: 2298-300 (1991)

More data for this
Ligand-Target Pair