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BDBM50012618 3-hydroxy-6-methyl-4-[2-methyl-1-[2-methyl-1-benzyloxycarboxamido-(1S)-propylcarboxamido]-(1S)-propylcarboxamido]heptanoic acid::CHEMBL73985

SMILES: CC(C)CC(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=ALIXZKUBHDEEGT-ZYFYDLNSSA-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 = 50012618   
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)
BDBM50012618
PNG
(3-hydroxy-6-methyl-4-[2-methyl-1-[2-methyl-1-benzy...)
Show SMILES CC(C)CC(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/c1-15(2)12-19(20(30)13-21(31)32)27-24(33)22(16(3)4)28-25(34)23(17(5)6)29-26(35)36-14-18-10-8-7-9-11-18/h7-11,15-17,19-20,22-23,30H,12-14H2,1-6H3,(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
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0394n/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)


Article DOI: 10.1021/jm00111a054
BindingDB Entry DOI: 10.7270/Q28G8JPJ
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50012618
PNG
(3-hydroxy-6-methyl-4-[2-methyl-1-[2-methyl-1-benzy...)
Show SMILES CC(C)CC(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/c1-15(2)12-19(20(30)13-21(31)32)27-24(33)22(16(3)4)28-25(34)23(17(5)6)29-26(35)36-14-18-10-8-7-9-11-18/h7-11,15-17,19-20,22-23,30H,12-14H2,1-6H3,(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
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.94E+4n/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)


Article DOI: 10.1021/jm00111a054
BindingDB Entry DOI: 10.7270/Q28G8JPJ
More data for this
Ligand-Target Pair