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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50012253'   
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)		BDBM50012253
PNG
(CHEMBL56982 | N-(1-Cyclohexylmethyl-2,3-dihydroxy-...)
Show SMILES CCCCCCOC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@H](O)CC(C)C
Show InChI InChI=1S/C36H60N4O9S/c1-4-5-6-13-20-49-36(45)32(35(44)37-29(24-27-14-9-7-10-15-27)33(42)31(41)23-26(2)3)38-34(43)30(25-28-16-11-8-12-17-28)39-50(46,47)40-18-21-48-22-19-40/h8,11-12,16-17,26-27,29-33,39,41-42H,4-7,9-10,13-15,18-25H2,1-3H3,(H,37,44)(H,38,43)/t29-,30-,31+,32?,33+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 100n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Bovine Cathepsin D.

J Med Chem 34: 1935-43 (1991)


BindingDB Entry DOI: 10.7270/Q2NG4R73
More data for this
Ligand-Target Pair