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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pepsin A' and Ligand = 'BDBM50025530'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Pepsin A


(Porcine)		BDBM50025530
PNG
(BDBM50028390 | CHEMBL166522 | [1-(1-{1-Hydroxy-2-[...)
Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C
Show InChI InChI=1S/C25H48N4O6/c1-14(2)10-11-26-23(32)18(9)27-21(31)13-20(30)19(12-15(3)4)28-24(33)22(16(5)6)29-25(34)35-17(7)8/h14-20,22,30H,10-13H2,1-9H3,(H,26,32)(H,27,31)(H,28,33)(H,29,34)/t18?,19?,20-,22+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 8.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of carboxyl protease (pepsin) inhibition

J Med Chem 25: 791-5 (1982)


BindingDB Entry DOI: 10.7270/Q2C828BB
More data for this
Ligand-Target Pair