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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50025536'   
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
Cathepsin D


(Bos taurus)		BDBM50025536
PNG
((1-{1-Benzyl-2-methyl-3-[1-(3-methyl-butylcarbamoy...)
Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](C)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C30H50N4O5/c1-19(2)15-16-31-27(36)22(6)32-25(35)17-21(5)24(18-23-13-11-10-12-14-23)33-28(37)26(20(3)4)34-29(38)39-30(7,8)9/h10-14,19-22,24,26H,15-18H2,1-9H3,(H,31,36)(H,32,35)(H,33,37)(H,34,38)/t21-,22?,24?,26-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 930n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D.

J Med Chem 29: 2519-24 (1987)


BindingDB Entry DOI: 10.7270/Q2NZ887N
More data for this
Ligand-Target Pair