BindingDB logo
myBDB logout

BDBM50350944 CHEMBL1818041

SMILES: CNC[C@H](C)NC(=O)N1CCC[C@H](C1)[C@@](O)(CCCCOC)c1ccccc1Oc1ccccc1

InChI Key: InChIKey=NZLLRNCZMLGIHF-JWZKTCGFSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50350944   
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
Renin


(Homo sapiens (Human))
BDBM50350944
PNG
(CHEMBL1818041)
Show SMILES CNC[C@H](C)NC(=O)N1CCC[C@H](C1)[C@@](O)(CCCCOC)c1ccccc1Oc1ccccc1 |r|
Show InChI InChI=1S/C28H41N3O4/c1-22(20-29-2)30-27(32)31-18-11-12-23(21-31)28(33,17-9-10-19-34-3)25-15-7-8-16-26(25)35-24-13-5-4-6-14-24/h4-8,13-16,22-23,29,33H,9-12,17-21H2,1-3H3,(H,30,32)/t22-,23+,28-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 126n/an/an/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using of DABCYL-c-Abu-IleHis-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate after 60 to 360 mins by fluores...


Bioorg Med Chem Lett 21: 4836-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.043
BindingDB Entry DOI: 10.7270/Q25M663G
More data for this
Ligand-Target Pair