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BDBM50031958 (S)-3-Methyl-2-{pentanoyl-[11-(1H-tetrazol-5-yl)-dibenzo[b,f]oxepin-3-ylmethyl]-amino}-butyric acid::CHEMBL328738

SMILES: CCCCC(=O)N(Cc1ccc2c(Oc3ccccc3C=C2c2nnn[nH]2)c1)[C@@H](C(C)C)C(O)=O

InChI Key: InChIKey=HNXNDZMHTAHFIF-DEOSSOPVSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50031958   
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
Angiotensin II receptor


(Homo sapiens (Human))		BDBM50031958
PNG
((S)-3-Methyl-2-{pentanoyl-[11-(1H-tetrazol-5-yl)-d...)
Show SMILES CCCCC(=O)N(Cc1ccc2c(Oc3ccccc3C=C2c2nnn[nH]2)c1)[C@@H](C(C)C)C(O)=O |c:21|
Show InChI InChI=1S/C26H29N5O4/c1-4-5-10-23(32)31(24(16(2)3)26(33)34)15-17-11-12-19-20(25-27-29-30-28-25)14-18-8-6-7-9-21(18)35-22(19)13-17/h6-9,11-14,16,24H,4-5,10,15H2,1-3H3,(H,33,34)(H,27,28,29,30)/t24-/m0/s1
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PubMed
 9.60n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1

J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair