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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 = 'BDBM50093767'   
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))		BDBM50093767
PNG
(1-(3-Aminomethyl-benzyl)-6,6-dibenzyl-1,4,5,6-tetr...)
Show SMILES NCc1cccc(Cn2ccc3CCC(Cc4ccccc4)(Cc4ccccc4)C(=O)c23)c1
Show InChI InChI=1S/C30H30N2O/c31-21-25-12-7-13-26(18-25)22-32-17-15-27-14-16-30(29(33)28(27)32,19-23-8-3-1-4-9-23)20-24-10-5-2-6-11-24/h1-13,15,17-18H,14,16,19-22,31H2
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PubMed
n/an/an/a 7.60E+3n/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Compound was assayed for binding against the human Bradykinin receptor B2 expressed in CHO cells

Bioorg Med Chem Lett 10: 2421-5 (2001)


BindingDB Entry DOI: 10.7270/Q20001BH
More data for this
Ligand-Target Pair