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SMILES: NC[C@H](C(=O)NCc1ccc(CN)cc1)n1cccc1CNC(=O)C(C1CCCCC1)c1ccccc1

InChI Key: InChIKey=SMXMTUKYUIRBIV-QXPUDEPPSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50093759   
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))		BDBM50093759
PNG
((R)-3-Amino-N-(4-aminomethyl-benzyl)-2-{2-[(2-cycl...)
Show SMILES NC[C@H](C(=O)NCc1ccc(CN)cc1)n1cccc1CNC(=O)C(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C30H39N5O2/c31-18-22-13-15-23(16-14-22)20-33-29(36)27(19-32)35-17-7-12-26(35)21-34-30(37)28(24-8-3-1-4-9-24)25-10-5-2-6-11-25/h1,3-4,7-9,12-17,25,27-28H,2,5-6,10-11,18-21,31-32H2,(H,33,36)(H,34,37)/t27-,28?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/a 1.70E+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