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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50004397'   
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))
BDBM50004397
PNG
(CHEMBL330538 | {1-[1-(1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSCC(=O)NCc1ccncc1
Show InChI InChI=1S/C38H53N7O6S/c1-38(2,3)51-37(50)45-31(19-27-12-8-5-9-13-27)35(48)44-32(20-29-22-40-25-42-29)36(49)43-30(18-26-10-6-4-7-11-26)33(46)23-52-24-34(47)41-21-28-14-16-39-17-15-28/h5,8-9,12-17,22,25-26,30-33,46H,4,6-7,10-11,18-21,23-24H2,1-3H3,(H,40,42)(H,41,47)(H,43,49)(H,44,48)(H,45,50)/t30-,31-,32-,33-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 92n/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