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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 527.7
BDBM50182223

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50182223
PNG
(CHEMBL204847 | N-((R)-6-((tert-butylamino)methyl)-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC(C)(C)C)ccc12
Show InChI InChI=1S/C29H41N3O4S/c1-29(2,3)30-20-21-11-16-26-22(18-21)8-7-10-27(26)31-28(33)19-23-9-5-6-17-32(23)37(34,35)25-14-12-24(36-4)13-15-25/h11-16,18,23,27,30H,5-10,17,19-20H2,1-4H3,(H,31,33)/t23-,27+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 780n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human B1 receptor


Bioorg Med Chem Lett 16: 2071-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50182223
PNG
(CHEMBL204847 | N-((R)-6-((tert-butylamino)methyl)-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC(C)(C)C)ccc12
Show InChI InChI=1S/C29H41N3O4S/c1-29(2,3)30-20-21-11-16-26-22(18-21)8-7-10-27(26)31-28(33)19-23-9-5-6-17-32(23)37(34,35)25-14-12-24(36-4)13-15-25/h11-16,18,23,27,30H,5-10,17,19-20H2,1-4H3,(H,31,33)/t23-,27+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human B1 receptor by calcium influx functional assay


Bioorg Med Chem Lett 16: 2071-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7
More data for this
Ligand-Target Pair