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SMILES: NCCCN1c2ccc(cc2C(=NC(CN)C1=O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1

InChI Key: InChIKey=UWZPGFRYKMNMDN-UHFFFAOYSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50093762   
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))		BDBM50093762
PNG
(3-Aminomethyl-1-(3-amino-propyl)-7-dibenzylamino-5...)
Show SMILES NCCCN1c2ccc(cc2C(=NC(CN)C1=O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 |c:12|
Show InChI InChI=1S/C33H35N5O/c34-19-10-20-38-31-18-17-28(37(23-25-11-4-1-5-12-25)24-26-13-6-2-7-14-26)21-29(31)32(27-15-8-3-9-16-27)36-30(22-35)33(38)39/h1-9,11-18,21,30H,10,19-20,22-24,34-35H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/a 4.30E+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