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BDBM50152292 CHEMBL361667::{3-[(S)-4-(1-Benzylcarbamoyl-ethylcarbamoyl)-2-hydroxy-1-isobutyl-pentylamino]-1-(S)-1-carbamoylmethyl-2-oxo-propyl}-carbamic acid tert-butyl ester

SMILES: CC(C)C[C@H](NCC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C(O)CC(C)C(=O)NC(C)C(=O)NCc1ccccc1

InChI Key: InChIKey=KLEAPGWLGBRJQD-DBOFUCIQSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50152292   
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
Beta-secretase 1


(Homo sapiens (Human))
BDBM50152292
PNG
(CHEMBL361667 | {3-[(S)-4-(1-Benzylcarbamoyl-ethylc...)
Show SMILES CC(C)C[C@H](NCC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C(O)CC(C)C(=O)NC(C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C30H49N5O7/c1-18(2)13-22(32-17-25(37)23(15-26(31)38)35-29(41)42-30(5,6)7)24(36)14-19(3)27(39)34-20(4)28(40)33-16-21-11-9-8-10-12-21/h8-12,18-20,22-24,32,36H,13-17H2,1-7H3,(H2,31,38)(H,33,40)(H,34,39)(H,35,41)/t19?,20?,22-,23-,24?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.24E+4n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against Beta-secretase


Bioorg Med Chem Lett 14: 4843-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.044
BindingDB Entry DOI: 10.7270/Q2M32WJX
More data for this
Ligand-Target Pair