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BDBM50407814 CHEMBL2028836

SMILES: CN1CC(=O)N[C@@H](Cc2cccs2)C(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2C3CCCCC3C[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C1=O

InChI Key: InChIKey=WSZUTSURXSTKCG-LNLYFYMVSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50407814   
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
Bradykinin B2 receptor


(Oryctolagus cuniculus)		BDBM50407814
PNG
(CHEMBL2028836)
Show SMILES CN1CC(=O)N[C@@H](Cc2cccs2)C(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2C3CCCCC3C[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C1=O |r|
Show InChI InChI=1S/C35H46N8O5S/c1-41-20-30(44)39-26(18-24-11-7-15-49-24)33(47)42-19-23-10-3-2-8-21(23)16-29(42)34(48)43-27-13-5-4-9-22(27)17-28(43)31(45)40-25(32(41)46)12-6-14-38-35(36)37/h2-3,7-8,10-11,15,22,25-29H,4-6,9,12-14,16-20H2,1H3,(H,39,44)(H,40,45)(H4,36,37,38)/t22?,25-,26-,27?,28-,29+/m0/s1
UniProtKB/SwissProt

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Article
PubMed
n/an/an/a 219n/an/an/an/an/a



Institute de Recherches Servier

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against kinin-induced rabbit jugular vein contraction.

J Med Chem 39: 2095-101 (1996)


Article DOI: 10.1021/jm950682e
BindingDB Entry DOI: 10.7270/Q2PG1SXN
More data for this
Ligand-Target Pair