BindingDB logo
myBDB logout

BDBM50420594 CHEMBL2087036

SMILES: CN(Cc1ccc(cc1)C1=NCCN1)C(=O)\C=C\CN(C)S(=O)(=O)c1ccc(Cl)c(C)c1Cl

InChI Key: InChIKey=BJHLXUFUYYMYHT-SNAWJCMRSA-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 = 50420594   
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))
BDBM50420594
PNG
(CHEMBL2087036)
Show SMILES CN(Cc1ccc(cc1)C1=NCCN1)C(=O)\C=C\CN(C)S(=O)(=O)c1ccc(Cl)c(C)c1Cl
Show InChI InChI=1S/C23H26Cl2N4O3S/c1-16-19(24)10-11-20(22(16)25)33(31,32)29(3)14-4-5-21(30)28(2)15-17-6-8-18(9-7-17)23-26-12-13-27-23/h4-11H,12-15H2,1-3H3,(H,26,27)/b5-4+
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
12n/an/an/an/an/an/an/an/a



Laboratoires Fournier

Curated by ChEMBL


Assay Description
Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter


J Med Chem 55: 2574-84 (2012)


Article DOI: 10.1021/jm2016057
BindingDB Entry DOI: 10.7270/Q20C4X1J
More data for this
Ligand-Target Pair