BindingDB logo
myBDB logout

BDBM50421778 CHEMBL3142325::CHEMBL75458

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

InChI Key: InChIKey=XSDVWPQHEWMWKF-PXVGWBSCNA-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 = 50421778   
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))
BDBM50421778
PNG
(CHEMBL3142325 | CHEMBL75458)
Show SMILES CCOC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)OC
Show InChI InChI=1/C39H65N5O11/c1-11-54-22-30(43-36(50)29(19-26-15-13-12-14-16-26)44-38(52)55-39(7,8)9)37(51)42-27(17-23(2)3)31(45)20-33(47)40-25(6)35(49)41-28(18-24(4)5)32(46)21-34(48)53-10/h12-16,23-25,27-32,45-46H,11,17-22H2,1-10H3,(H,40,47)(H,41,49)(H,42,51)(H,43,50)(H,44,52)/t25-,27-,28-,29-,30-,31-,32-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 112n/an/an/an/an/an/a



Sanofi Recherche

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


J Med Chem 30: 2287-91 (1988)


Article DOI: 10.1021/jm00395a018
BindingDB Entry DOI: 10.7270/Q2D50P7G
More data for this
Ligand-Target Pair