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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50022019'   
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)		BDBM50022019
PNG
(1-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl]-p...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(C)(C)C)[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)22-36(42(63)27-43(64)56-38(23-31(3)4)46(66)58-37(45(52)65)24-33-16-11-9-12-17-33)57-49(69)44(51(6,7)8)60-47(67)39(25-34-18-13-10-14-19-34)59-48(68)41-20-15-21-61(41)50(70)40(55-32(5)62)26-35-28-53-29-54-35/h9-14,16-19,28-31,36-42,44,63H,15,20-27H2,1-8H3,(H2,52,65)(H,53,54)(H,55,62)(H,56,64)(H,57,69)(H,58,66)(H,59,68)(H,60,67)/t36-,37-,38-,39-,40-,41+,42-,44+/m0/s1
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n/an/a 400n/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