new BindingDB logo
myBDB logout

BDBM50184201 4'-{[5-(4-sec-butyl-piperazine-1-carbonyl)-pyridin-2-ylamino]-methyl}-3,3'-difluoro-biphenyl-2-carboxylica acid methyl ester::CHEMBL208991

SMILES: CCC(C)N1CCN(CC1)C(=O)c1ccc(NCc2ccc(cc2F)-c2cccc(F)c2C(=O)OC)nc1

InChI Key: InChIKey=TXCQAQYYRPLPMQ-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50184201   
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
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50184201
PNG
(4'-{[5-(4-sec-butyl-piperazine-1-carbonyl)-pyridin...)
Show SMILES CCC(C)N1CCN(CC1)C(=O)c1ccc(NCc2ccc(cc2F)-c2cccc(F)c2C(=O)OC)nc1
Show InChI InChI=1S/C29H32F2N4O3/c1-4-19(2)34-12-14-35(15-13-34)28(36)22-10-11-26(33-18-22)32-17-21-9-8-20(16-25(21)31)23-6-5-7-24(30)27(23)29(37)38-3/h5-11,16,18-19H,4,12-15,17H2,1-3H3,(H,32,33)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.5n/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