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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50387267'   
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))
BDBM50387267
PNG
(CHEMBL2048575)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cccc(F)c1F)C(=O)NCC(C)(C)C(N)=O |r|
Show InChI InChI=1S/C26H41F2N5O4/c1-15(2)16(23(36)31-13-25(3,4)24(30)37)10-20(34)18(29)11-32-12-21(35)33(14-26(32,5)6)19-9-7-8-17(27)22(19)28/h7-9,15-16,18,20,34H,10-14,29H2,1-6H3,(H2,30,37)(H,31,36)/t16-,18-,20-/m0/s1
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Article
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n/an/a 2n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human purified renin


Bioorg Med Chem Lett 22: 4561-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.092
BindingDB Entry DOI: 10.7270/Q2BK1DD9
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)
BDBM50387267
PNG
(CHEMBL2048575)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cccc(F)c1F)C(=O)NCC(C)(C)C(N)=O |r|
Show InChI InChI=1S/C26H41F2N5O4/c1-15(2)16(23(36)31-13-25(3,4)24(30)37)10-20(34)18(29)11-32-12-21(35)33(14-26(32,5)6)19-9-7-8-17(27)22(19)28/h7-9,15-16,18,20,34H,10-14,29H2,1-6H3,(H2,30,37)(H,31,36)/t16-,18-,20-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of renin in cynomolgus monkey plasma


Bioorg Med Chem Lett 22: 4561-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.092
BindingDB Entry DOI: 10.7270/Q2BK1DD9
More data for this
Ligand-Target Pair