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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50368814'   
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)		BDBM50368814
PNG
(CHEMBL1791126)
Show SMILES CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)NCCCCCCO
Show InChI InChI=1S/C31H60N4O7/c1-10-21(5)26(34-29(40)27(22(6)11-2)35-30(41)42-31(7,8)9)28(39)33-23(18-20(3)4)24(37)19-25(38)32-16-14-12-13-15-17-36/h20-24,26-27,36-37H,10-19H2,1-9H3,(H,32,38)(H,33,39)(H,34,40)(H,35,41)/t21-,22-,23+,24?,26+,27+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
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Similars
PubMed
n/an/a 68n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of onversion of hemoglobin by commercially purchased bovine spleen Cathepsin D.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair