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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50368815'   
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)		BDBM50368815
PNG
(CHEMBL1791105)
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](Cc1cccc2ccccc12)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C35H55N3O6/c1-10-22(5)29(37-33(42)30(23(6)11-2)38-34(43)44-35(7,8)9)32(41)36-27(31(40)28(39)19-21(3)4)20-25-17-14-16-24-15-12-13-18-26(24)25/h12-18,21-23,27-31,39-40H,10-11,19-20H2,1-9H3,(H,36,41)(H,37,42)(H,38,43)/t22-,23-,27+,28+,29+,30+,31-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion 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