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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50022952'   
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))
BDBM50022952
PNG
(CHEMBL262957 | CHEMBL3143440 | {1-[1-[1-Cyclohexyl...)
Show SMILES CC(C)CCNCC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C36H58N6O5/c1-25(2)16-18-37-19-17-32(43)29(20-26-12-8-6-9-13-26)40-34(45)31(22-28-23-38-24-39-28)41-33(44)30(21-27-14-10-7-11-15-27)42-35(46)47-36(3,4)5/h7,10-11,14-15,23-26,29-32,37,43H,6,8-9,12-13,16-22H2,1-5H3,(H,38,39)(H,40,45)(H,41,44)(H,42,46)/t29-,30-,31-,32-/m0/s1
PDB
MMDB

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PC cid
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Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 30: 1224-8 (1987)


Article DOI: 10.1021/jm00390a018
BindingDB Entry DOI: 10.7270/Q2X63NJ7
More data for this
Ligand-Target Pair