BindingDB logo
myBDB logout

null

SMILES: COCCCOc1cc(ccc1OC)C(=O)N(C[C@H]1CNC[C@@H]1NCc1ccc2ccccc2c1)C(C)C

InChI Key: InChIKey=XZJFCCNTHXFRPO-IZLXSDGUSA-N

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 = 50066259   
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))		BDBM50066259
PNG
(CHEMBL3400436)
Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@H]1CNC[C@@H]1NCc1ccc2ccccc2c1)C(C)C |r|
Show InChI InChI=1S/C31H41N3O4/c1-22(2)34(31(35)26-12-13-29(37-4)30(17-26)38-15-7-14-36-3)21-27-19-32-20-28(27)33-18-23-10-11-24-8-5-6-9-25(24)16-23/h5-6,8-13,16-17,22,27-28,32-33H,7,14-15,18-21H2,1-4H3/t27-,28+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 2.05E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay

Bioorg Med Chem Lett 25: 1782-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX
More data for this
Ligand-Target Pair