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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50598965'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Renin


(Homo sapiens (Human))
BDBM50598965
PNG
(CHEMBL5188936)
Show SMILES COC(=O)NCCCn1cc([C@@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2nccnc12 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00834
BindingDB Entry DOI: 10.7270/Q2JS9VH0
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50598965
PNG
(CHEMBL5188936)
Show SMILES COC(=O)NCCCn1cc([C@@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2nccnc12 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00834
BindingDB Entry DOI: 10.7270/Q2JS9VH0
More data for this
Ligand-Target Pair