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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50021997'   
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)		BDBM50021997
PNG
(1-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl]-p...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C51H74N10O9/c1-30(2)21-37(44(63)27-45(64)56-39(22-31(3)4)47(66)58-38(46(52)65)24-34-15-10-8-11-16-34)57-48(67)40(23-32(5)6)59-49(68)41(25-35-17-12-9-13-18-35)60-50(69)43-19-14-20-61(43)51(70)42(55-33(7)62)26-36-28-53-29-54-36/h8-13,15-18,28-32,37-44,63H,14,19-27H2,1-7H3,(H2,52,65)(H,53,54)(H,55,62)(H,56,64)(H,57,67)(H,58,66)(H,59,68)(H,60,69)/t37-,38-,39-,40-,41-,42-,43+,44-/m0/s1
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PubMed
n/an/a 310n/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