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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50368801'   
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)		BDBM50368801
PNG
(CHEMBL1791114)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(O)=O)[C@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)CC(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C38H58N6O11/c1-10-20(5)29(42-33(48)30(21(6)11-2)43-34(49)31(36(52)53)44-37(54)55-38(7,8)9)32(47)40-25(16-22-18-39-24-15-13-12-14-23(22)24)26(45)17-27(46)41-28(19(3)4)35(50)51/h12-15,18-21,25-26,28-31,39,45H,10-11,16-17H2,1-9H3,(H,40,47)(H,41,46)(H,42,48)(H,43,49)(H,44,54)(H,50,51)(H,52,53)/t20-,21-,25+,26?,28+,29+,30+,31-/m1/s1
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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