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BDBM50022001 Ac-His-Pro-Napa-His-Statine-Leu-Phe-NH2::CHEMBL274075

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=PIAHHDWOBKPWQJ-LOSAGNLKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50022001   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Renin


(Rattus norvegicus)		BDBM50022001
PNG
(Ac-His-Pro-Napa-His-Statine-Leu-Phe-NH2 | CHEMBL27...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C55H72N12O9/c1-32(2)21-41(48(69)27-49(70)62-43(22-33(3)4)51(72)64-42(50(56)71)23-35-13-7-6-8-14-35)63-53(74)45(25-38-28-57-30-59-38)65-52(73)44(24-37-17-11-16-36-15-9-10-18-40(36)37)66-54(75)47-19-12-20-67(47)55(76)46(61-34(5)68)26-39-29-58-31-60-39/h6-11,13-18,28-33,41-48,69H,12,19-27H2,1-5H3,(H2,56,71)(H,57,59)(H,58,60)(H,61,68)(H,62,70)(H,63,74)(H,64,72)(H,65,73)(H,66,75)/t41-,42-,43-,44-,45-,46-,47+,48-/m0/s1
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Similars
PubMed
n/an/a 220n/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