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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50025527'   
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)		BDBM50025527
PNG
(2-{3-Hydroxy-6-methyl-4-[3-methyl-2-(3-methyl-buty...)
Show SMILES [H][C@](O)(CC(=O)N[C@@H](C)C(=O)OC)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C
Show InChI InChI=1S/C22H41N3O6/c1-12(2)9-16(17(26)11-19(28)23-15(7)22(30)31-8)24-21(29)20(14(5)6)25-18(27)10-13(3)4/h12-17,20,26H,9-11H2,1-8H3,(H,23,28)(H,24,29)(H,25,27)/t15?,16?,17-,20+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.80E+3n/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