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SMILES: Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCCC3)C(=O)N3CCN(CC3)C(=O)[C@@H](N)CCC[N+](C)(C)C)c2n1

InChI Key: InChIKey=MUDWHYIJGIKXCZ-LJAQVGFWSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50411272   
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
B2 bradykinin receptor


(Homo sapiens (Human))		BDBM50411272
PNG
(CHEMBL387452)
Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCCC3)C(=O)N3CCN(CC3)C(=O)[C@@H](N)CCC[N+](C)(C)C)c2n1
Show InChI InChI=1S/C36H49Cl2N6O5S/c1-24-22-25(2)40-33-26(24)10-8-12-30(33)49-23-27-28(37)13-14-31(32(27)38)50(47,48)41-36(15-6-7-16-36)35(46)43-19-17-42(18-20-43)34(45)29(39)11-9-21-44(3,4)5/h8,10,12-14,22,29,41H,6-7,9,11,15-21,23,39H2,1-5H3/q+1/t29-/m0/s1
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Similars
Article
PubMed
n/an/an/a 0.316n/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Antagonist potency at human bradykinin B2 receptor assessed as effect on inositol monophosphate accumulation in CHOdhfr- cells

J Med Chem 50: 550-65 (2007)


Article DOI: 10.1021/jm061143k
BindingDB Entry DOI: 10.7270/Q2H13374
More data for this
Ligand-Target Pair