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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50022017'   
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)		BDBM50022017
PNG
(CHEMBL414537 | Pro-His-Pro-Phe-His-Statine-Leu-Phe...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCCN1)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H75N13O9/c1-32(2)21-39(46(68)27-47(69)61-41(22-33(3)4)50(72)63-40(48(55)70)23-34-13-7-5-8-14-34)62-52(74)43(25-36-28-56-30-59-36)64-51(73)42(24-35-15-9-6-10-16-35)65-53(75)45-18-12-20-67(45)54(76)44(26-37-29-57-31-60-37)66-49(71)38-17-11-19-58-38/h5-10,13-16,28-33,38-46,58,68H,11-12,17-27H2,1-4H3,(H2,55,70)(H,56,59)(H,57,60)(H,61,69)(H,62,74)(H,63,72)(H,64,73)(H,65,75)(H,66,71)/t38-,39+,40+,41+,42+,43+,44+,45-,46+/m1/s1
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n/an/a 240n/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