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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50022021'   
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)		BDBM50022021
PNG
(1-(2-Acetylamino-3-phenyl-propionyl)-pyrrolidine-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(C)=O)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/C53H74N8O9/c1-32(2)26-39(45(63)31-46(64)56-41(27-33(3)4)49(66)58-40(48(54)65)28-36-18-11-8-12-19-36)57-52(69)47(34(5)6)60-50(67)42(29-37-20-13-9-14-21-37)59-51(68)44-24-17-25-61(44)53(70)43(55-35(7)62)30-38-22-15-10-16-23-38/h8-16,18-23,32-34,39-45,47,63H,17,24-31H2,1-7H3,(H2,54,65)(H,55,62)(H,56,64)(H,57,69)(H,58,66)(H,59,68)(H,60,67)/t39-,40-,41-,42-,43-,44+,45-,47-/m0/s1
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Similars
PubMed
n/an/a 42n/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