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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'B2 bradykinin receptor' and Ligand = 'BDBM50409530'   
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
B2 bradykinin receptor


(Homo sapiens (Human))		BDBM50409530
PNG
(CHEMBL2112219)
Show SMILES CN(C)CCCN(C)CCNC(=O)c1cccn1S(=O)(=O)c1ccc(NNC(=O)NC2c3ccccc3CCc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C35H42ClN7O4S/c1-41(2)20-9-21-42(3)23-19-37-34(44)32-14-8-22-43(32)48(46,47)27-17-18-31(30(36)24-27)39-40-35(45)38-33-28-12-6-4-10-25(28)15-16-26-11-5-7-13-29(26)33/h4-8,10-14,17-18,22,24,33,39H,9,15-16,19-21,23H2,1-3H3,(H,37,44)(H2,38,40,45)
PDB

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PC sid
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Similars
PubMed
 253n/an/an/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]BK (1 nM) from human Bradykinin receptor B2 expressed in Cos-7 cells

J Med Chem 45: 2160-72 (2002)


BindingDB Entry DOI: 10.7270/Q2X067SG
More data for this
Ligand-Target Pair