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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastricsin' and Ligand = 'BDBM50017486'   
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
Gastricsin


(Rattus norvegicus)		BDBM50017486
PNG
(2-(2-{4-Hydroxy-2,7-dimethyl-5-[3-methyl-2-(3-meth...)
Show SMILES CCC(NC(=O)[C@H](C)NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C27H50N4O7/c1-10-19(27(37)38)29-25(35)18(9)28-24(34)17(8)13-21(32)20(11-14(2)3)30-26(36)23(16(6)7)31-22(33)12-15(4)5/h14-21,23,32H,10-13H2,1-9H3,(H,28,34)(H,29,35)(H,30,36)(H,31,33)(H,37,38)/t17-,18+,19?,20+,21+,23+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 3n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Inhibition of enzyme pepsin

J Med Chem 32: 1378-92 (1989)


BindingDB Entry DOI: 10.7270/Q20G3KQ1
More data for this
Ligand-Target Pair