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SMILES: CCCCN1CCN(CC1)C(=O)c1ccc(NCc2ccc(cc2F)-c2cccc(F)c2C(=O)OC)nc1

InChI Key: InChIKey=PXUIGIMTWQGKPS-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50184195   
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
B1 bradykinin receptor


(Homo sapiens (Human))		BDBM50184195
PNG
(4'-{[5-(4-butyl-piperazine-1-carbonyl)-pyridin-2-y...)
Show SMILES CCCCN1CCN(CC1)C(=O)c1ccc(NCc2ccc(cc2F)-c2cccc(F)c2C(=O)OC)nc1
Show InChI InChI=1S/C29H32F2N4O3/c1-3-4-12-34-13-15-35(16-14-34)28(36)22-10-11-26(33-19-22)32-18-21-9-8-20(17-25(21)31)23-6-5-7-24(30)27(23)29(37)38-2/h5-11,17,19H,3-4,12-16,18H2,1-2H3,(H,32,33)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human BK1 receptor

Bioorg Med Chem Lett 16: 2791-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.112
BindingDB Entry DOI: 10.7270/Q28915GX
More data for this
Ligand-Target Pair