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BDBM50022287 8-Acetylamino-3-hydroxy-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-butyrylamino}-octanoic acid ethyl ester::CHEMBL98552

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

InChI Key: InChIKey=VOLSVJOGWHOTLO-AAXRKXIRSA-N

Data: 2 KI

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

Found 2 hits for monomerid = 50022287   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
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
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
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)


Article DOI: 10.1021/jm00385a010
BindingDB Entry DOI: 10.7270/Q2QF8RVZ
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of porcine pepsin


J Med Chem 30: 286-95 (1987)


Article DOI: 10.1021/jm00385a010
BindingDB Entry DOI: 10.7270/Q2QF8RVZ
More data for this
Ligand-Target Pair