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BDBM50381276 CHEMBL2018864

SMILES: Clc1ccc(cc1Cl)S(=O)(=O)N1CCc2ccccc2C1CC(=O)Nc1ccc(cc1)N1CCC(CC1)N1CCCCC1

InChI Key: InChIKey=UZWLXQMCFATWND-UHFFFAOYNA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50381276   
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))
BDBM50381276
PNG
(CHEMBL2018864)
Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1CCc2ccccc2C1CC(=O)Nc1ccc(cc1)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1/C33H38Cl2N4O3S/c34-30-13-12-28(22-31(30)35)43(41,42)39-21-14-24-6-2-3-7-29(24)32(39)23-33(40)36-25-8-10-26(11-9-25)38-19-15-27(16-20-38)37-17-4-1-5-18-37/h2-3,6-13,22,27,32H,1,4-5,14-21,23H2,(H,36,40)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
138n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


Bioorg Med Chem Lett 22: 3095-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0
More data for this
Ligand-Target Pair