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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50021990'   
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)		BDBM50021990
PNG
(CHEMBL427798 | Pro-His-Pro-Phe-His-Statine-Tyr-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](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(CCCCN)C(N)=O
Show InChI InChI=1S/C63H85N15O12/c1-37(2)26-47(54(81)32-55(82)71-48(28-39-15-19-43(79)20-16-39)58(85)74-49(29-40-17-21-44(80)22-18-40)59(86)72-45(56(65)83)12-6-7-23-64)73-61(88)51(30-41-33-66-35-69-41)75-60(87)50(27-38-10-4-3-5-11-38)76-62(89)53-14-9-25-78(53)63(90)52(31-42-34-67-36-70-42)77-57(84)46-13-8-24-68-46/h3-5,10-11,15-22,33-37,45-54,68,79-81H,6-9,12-14,23-32,64H2,1-2H3,(H2,65,83)(H,66,69)(H,67,70)(H,71,82)(H,72,86)(H,73,88)(H,74,85)(H,75,87)(H,76,89)(H,77,84)/t45?,46-,47+,48+,49+,50+,51+,52+,53-,54+/m1/s1
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PubMed
n/an/a 3.50E+4n/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