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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50352962'   
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))
BDBM50352962
PNG
(CHEMBL1824936)
Show SMILES Cc1ccc(F)c(C)c1Oc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1
Show InChI InChI=1S/C26H25FN4O2/c1-17-10-11-20(27)18(2)24(17)33-26-22(25(32)30-15-13-28-14-16-30)23-21(9-6-12-29-23)31(26)19-7-4-3-5-8-19/h3-12,28H,13-16H2,1-2H3
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Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins afte...


Bioorg Med Chem Lett 21: 5480-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.114
BindingDB Entry DOI: 10.7270/Q2HH6KFK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50352962
PNG
(CHEMBL1824936)
Show SMILES Cc1ccc(F)c(C)c1Oc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1
Show InChI InChI=1S/C26H25FN4O2/c1-17-10-11-20(27)18(2)24(17)33-26-22(25(32)30-15-13-28-14-16-30)23-21(9-6-12-29-23)31(26)19-7-4-3-5-8-19/h3-12,28H,13-16H2,1-2H3
PDB
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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins afte...


Bioorg Med Chem Lett 21: 5480-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.114
BindingDB Entry DOI: 10.7270/Q2HH6KFK
More data for this
Ligand-Target Pair