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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 = 'BDBM50085691'   
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


(RAT)		BDBM50085691
PNG
(CHEMBL350109 | N-Benzyl-2-(4-benzylsulfamoyl-2-nit...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC(=[SH+])[N-]Cc1ccccc1)S(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C22H22N4O4S2/c27-26(28)21-13-19(32(29,30)25-15-18-9-5-2-6-10-18)11-12-20(21)23-16-22(31)24-14-17-7-3-1-4-8-17/h1-13,23,25H,14-16H2,(H,24,31)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-BK to rat bradykinin B2 receptor expressed in NG108-15 neuroblastoma-glioma hybrid cell membranes

J Med Chem 43: 769-71 (2000)


BindingDB Entry DOI: 10.7270/Q2XD10W5
More data for this
Ligand-Target Pair