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BDBM50025531 CHEMBL311504::CHEMBL3392096::[1-(1-{1-Benzyl-2-hydroxy-3-[1-(3-methyl-butylcarbamoyl)-ethylcarbamoyl]-propylcarbamoyl}-2-methyl-propylcarbamoyl)-2-methyl-propyl]-carbamic acid tert-butyl ester

SMILES: CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C

InChI Key: InChIKey=DTDQTTSGSTUIBM-ROUARABJSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50025531   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cathepsin D


(Bos taurus)		BDBM50025531
PNG
(CHEMBL3392096 | [1-(1-{1-Benzyl-2-hydroxy-3-[1-(3-...)
Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C34H57N5O7/c1-20(2)16-17-35-30(42)23(7)36-27(41)19-26(40)25(18-24-14-12-11-13-15-24)37-31(43)28(21(3)4)38-32(44)29(22(5)6)39-33(45)46-34(8,9)10/h11-15,20-23,25-26,28-29,40H,16-19H2,1-10H3,(H,35,42)(H,36,41)(H,37,43)(H,38,44)(H,39,45)/t23?,25?,26-,28?,29+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.10n/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