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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50022013'   
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)		BDBM50022013
PNG
(CHEMBL384354 | Pro-His-Pro-Phe-His-Statine-Leu-Tyr...)
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](Cc1ccc(O)cc1)C(=O)N[C@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C62H84N14O11/c1-36(2)24-46(53(79)31-55(80)69-47(25-37(3)4)57(82)71-49(27-39-14-18-43(77)19-15-39)60(85)75-54(63)28-40-16-20-44(78)21-17-40)70-59(84)50(29-41-32-64-34-67-41)72-58(83)48(26-38-10-6-5-7-11-38)73-61(86)52-13-9-23-76(52)62(87)51(30-42-33-65-35-68-42)74-56(81)45-12-8-22-66-45/h5-7,10-11,14-21,32-37,45-54,66,77-79H,8-9,12-13,22-31,63H2,1-4H3,(H,64,67)(H,65,68)(H,69,80)(H,70,84)(H,71,82)(H,72,83)(H,73,86)(H,74,81)(H,75,85)/t45-,46+,47+,48+,49+,50+,51+,52-,53+,54+/m1/s1
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PubMed
n/an/a 775n/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