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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50022639'   
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))		BDBM50022639
PNG
(CHEMBL3348539 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...)
Show SMILES CCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC
Show InChI InChI=1S/C27H47N5O6/c1-5-23(33)24(34)20(13-18-10-8-7-9-11-18)30-26(36)22(14-19-15-28-16-29-19)31-25(35)21(12-17(3)4)32-27(37)38-6-2/h15-18,20-24,33-34H,5-14H2,1-4H3,(H,28,29)(H,30,36)(H,31,35)(H,32,37)/t20-,21?,22?,23?,24+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin

J Med Chem 31: 2264-76 (1989)


BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair