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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50021993'   
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


(Rattus norvegicus)		BDBM50021993
PNG
(1-[2-Acetylamino-3-(4-methoxy-phenyl)-propionyl]-p...)
Show SMILES COc1ccc(C[C@H](NC(C)=O)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1
Show InChI InChI=1S/C54H76N8O10/c1-32(2)26-40(46(64)31-47(65)57-42(27-33(3)4)50(67)59-41(49(55)66)28-36-16-11-9-12-17-36)58-53(70)48(34(5)6)61-51(68)43(29-37-18-13-10-14-19-37)60-52(69)45-20-15-25-62(45)54(71)44(56-35(7)63)30-38-21-23-39(72-8)24-22-38/h9-14,16-19,21-24,32-34,40-46,48,64H,15,20,25-31H2,1-8H3,(H2,55,66)(H,56,63)(H,57,65)(H,58,70)(H,59,67)(H,60,69)(H,61,68)/t40-,41-,42-,43-,44-,45+,46-,48-/m0/s1
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PubMed
n/an/a 34n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibitory activity against rat plasma renin in vitro.

J Med Chem 31: 1679-86 (1988)


BindingDB Entry DOI: 10.7270/Q2NC61TR
More data for this
Ligand-Target Pair