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BDBM50025518 6-Methyl-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-butyrylamino}-3-oxo-heptanoic acid [1-(3-methyl-butylcarbamoyl)-ethyl]-amide::CHEMBL3392099::CHEMBL84607

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

InChI Key: InChIKey=COWSGJQEDUJBDF-GOUQPXDXSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50025518   
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)
BDBM50025518
PNG
(6-Methyl-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyr...)
Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)CC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C31H57N5O6/c1-17(2)12-13-32-29(40)22(11)33-26(39)16-24(37)23(14-18(3)4)34-30(41)28(21(9)10)36-31(42)27(20(7)8)35-25(38)15-19(5)6/h17-23,27-28H,12-16H2,1-11H3,(H,32,40)(H,33,39)(H,34,41)(H,35,38)(H,36,42)/t22-,23-,27-,28-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
25n/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)


Article DOI: 10.1021/jm00162a015
BindingDB Entry DOI: 10.7270/Q2NZ887N
More data for this
Ligand-Target Pair