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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50003195'   
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))
BDBM50003195
PNG
(CHEMBL126115 | [1-(6-Cyclohexylmethyl-7-hydroxy-10...)
Show SMILES CC(C)(C)CC(=O)NCCOC(=O)NC(Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCC[C@H](CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
Show InChI InChI=1S/C41H63N5O11/c1-41(2,3)25-34(47)42-17-20-55-40(53)45-32(24-29-13-8-5-9-14-29)37(50)44-33-27-56-35(48)16-10-15-30(26-46-18-21-54-22-19-46)57-39(52)36(49)31(43-38(33)51)23-28-11-6-4-7-12-28/h5,8-9,13-14,28,30-33,36,49H,4,6-7,10-12,15-27H2,1-3H3,(H,42,47)(H,43,51)(H,44,50)(H,45,53)/t30-,31+,32?,33+,36-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
n/an/a 0.230n/an/an/an/a7.4n/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)


J Med Chem 35: 3755-73 (1992)


BindingDB Entry DOI: 10.7270/Q26W9BPZ
More data for this
Ligand-Target Pair