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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50003174   
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))		BDBM50003174
PNG
(CHEMBL339289 | {2-[1-(6-Cyclohexylmethyl-7-hydroxy...)
Show SMILES CC(C)(C)OC(=O)NC(C)(C)CC(=O)N[C@@H](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/C42H65N5O11/c1-41(2,3)58-40(54)46-42(4,5)25-34(48)43-32(24-29-15-10-7-11-16-29)37(51)45-33-27-56-35(49)18-12-17-30(26-47-19-21-55-22-20-47)57-39(53)36(50)31(44-38(33)52)23-28-13-8-6-9-14-28/h7,10-11,15-16,28,30-33,36,50H,6,8-9,12-14,17-27H2,1-5H3,(H,43,48)(H,44,52)(H,45,51)(H,46,54)/t30-,31+,32+,33+,36-/m1/s1
PDB
MMDB

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Similars
PubMed
n/an/a 0.5n/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