BindingDB logo
myBDB logout

null

SMILES: CC1CCCC(C)N1Cc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1

InChI Key: InChIKey=WOFRNMWURPZWBM-NELRVDDCSA-N

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 2 hits for monomerid = 50209727   
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))
BDBM50209727
PNG
((R)-N-((R)-7-(((2R,6S)-2,6-dimethylpiperidin-1-yl)...)
Show SMILES CC1CCCC(C)N1Cc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C36H41N3O4S/c1-25-9-8-10-26(2)39(25)24-27-15-18-32-33(19-20-43-35(32)21-27)37-36(40)23-34(29-12-4-3-5-13-29)38-44(41,42)31-17-16-28-11-6-7-14-30(28)22-31/h3-7,11-18,21-22,25-26,33-34,38H,8-10,19-20,23-24H2,1-2H3,(H,37,40)/t25?,26?,33-,34-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13.4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50209727
PNG
((R)-N-((R)-7-(((2R,6S)-2,6-dimethylpiperidin-1-yl)...)
Show SMILES CC1CCCC(C)N1Cc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C36H41N3O4S/c1-25-9-8-10-26(2)39(25)24-27-15-18-32-33(19-20-43-35(32)21-27)37-36(40)23-34(29-12-4-3-5-13-29)38-44(41,42)31-17-16-28-11-6-7-14-30(28)22-31/h3-7,11-18,21-22,25-26,33-34,38H,8-10,19-20,23-24H2,1-2H3,(H,37,40)/t25?,26?,33-,34-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 96.3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHOD cellsassessed as effect on DAK-induced calcium flux


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair