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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50021998'   
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)		BDBM50021998
PNG
(CHEMBL437044 | 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(N)=O
Show InChI InChI=1S/C57H73N13O11/c1-33(2)22-42(49(73)28-50(74)64-44(25-36-14-18-40(72)19-15-36)53(77)66-43(51(58)75)23-35-12-16-39(71)17-13-35)65-55(79)46(26-37-29-59-31-62-37)67-54(78)45(24-34-8-4-3-5-9-34)68-56(80)48-11-7-21-70(48)57(81)47(27-38-30-60-32-63-38)69-52(76)41-10-6-20-61-41/h3-5,8-9,12-19,29-33,41-49,61,71-73H,6-7,10-11,20-28H2,1-2H3,(H2,58,75)(H,59,62)(H,60,63)(H,64,74)(H,65,79)(H,66,77)(H,67,78)(H,68,80)(H,69,76)/t41-,42+,43+,44+,45+,46+,47+,48-,49+/m1/s1
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PC sid
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Similars
PubMed
n/an/a 1.60E+3n/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