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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50010412'   
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))
BDBM50010412
PNG
(BOC-Phe-psi[COCH2S]Gly-Leu-psi-[CHOHCH2]Val-Ile N-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)CSCC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C41H65N7O7S/c1-11-26(6)36(39(53)44-21-29-20-43-27(7)45-37(29)42)48-38(52)30(25(4)5)19-33(49)31(17-24(2)3)46-35(51)23-56-22-34(50)32(18-28-15-13-12-14-16-28)47-40(54)55-41(8,9)10/h12-16,20,24-26,30-33,36,49H,11,17-19,21-23H2,1-10H3,(H,44,53)(H,46,51)(H,47,54)(H,48,52)(H2,42,43,45)/t26-,30-,31-,32-,33-,36-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 5.40n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against human renin


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair