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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50022868'   
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))		BDBM50022868
PNG
(2-[2-(2-{[7-(2-tert-Butoxycarbonylamino-3-phenyl-p...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H]1COCCCN([C@H](C)C(=O)N1)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC
Show InChI InChI=1S/C41H62N8O10/c1-10-25(4)33(37(53)44-30(39(55)57-9)20-28-21-42-23-43-28)48-36(52)32(24(2)3)47-35(51)31-22-58-18-14-17-49(26(5)34(50)45-31)38(54)29(19-27-15-12-11-13-16-27)46-40(56)59-41(6,7)8/h11-13,15-16,21,23-26,29-33H,10,14,17-20,22H2,1-9H3,(H,42,43)(H,44,53)(H,45,50)(H,46,56)(H,47,51)(H,48,52)/t25-,26+,29-,30-,31+,32-,33-/m0/s1
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin

J Med Chem 31: 284-95 (1988)


BindingDB Entry DOI: 10.7270/Q2S75FBX
More data for this
Ligand-Target Pair