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SMILES: NCCCC[C@H](C(=O)NCc1ccc(CN)cc1)n1cccc1C(=O)NC(Cc1ccccc1)c1ccccc1

InChI Key: InChIKey=SACDCLOKTWFPQB-BDCODIICSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50093761   
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))		BDBM50093761
PNG
(1-[(R)-5-Amino-1-(4-aminomethyl-benzylcarbamoyl)-p...)
Show SMILES NCCCC[C@H](C(=O)NCc1ccc(CN)cc1)n1cccc1C(=O)NC(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H39N5O2/c34-20-8-7-14-30(32(39)36-24-27-18-16-26(23-35)17-19-27)38-21-9-15-31(38)33(40)37-29(28-12-5-2-6-13-28)22-25-10-3-1-4-11-25/h1-6,9-13,15-19,21,29-30H,7-8,14,20,22-24,34-35H2,(H,36,39)(H,37,40)/t29?,30-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/a 2.80E+4n/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