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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50004410'   
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))
BDBM50004410
PNG
(CHEMBL439774 | {1-[1-{1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CC(C)CC(C(=O)NCCN1CCOCC1)S(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C42H67N7O8S/c1-29(2)22-37(40(53)44-16-17-49-18-20-56-21-19-49)58(55)27-36(50)33(23-30-12-8-6-9-13-30)46-39(52)35(25-32-26-43-28-45-32)47-38(51)34(24-31-14-10-7-11-15-31)48-41(54)57-42(3,4)5/h7,10-11,14-15,26,28-30,33-37,50H,6,8-9,12-13,16-25,27H2,1-5H3,(H,43,45)(H,44,53)(H,46,52)(H,47,51)(H,48,54)/t33-,34-,35-,36-,37?,58?/m0/s1
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Similars

Article
PubMed
n/an/a 88n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


J Med Chem 35: 2772-81 (1992)


Article DOI: 10.1021/jm00093a009
BindingDB Entry DOI: 10.7270/Q2D50KWR
More data for this
Ligand-Target Pair