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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 548.7
BDBM50182247

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))
BDBM50182247
PNG
(CHEMBL205242 | N-((R)-6-((tert-butylamino)methyl)-...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C31H40N4O3S/c1-31(2,3)33-20-22-13-14-26-23(18-22)8-6-11-28(26)34-30(36)19-25-10-4-5-17-35(25)39(37,38)29-12-7-9-24-21-32-16-15-27(24)29/h7,9,12-16,18,21,25,28,33H,4-6,8,10-11,17,19-20H2,1-3H3,(H,34,36)/t25-,28+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 610n/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))
BDBM50182247
PNG
(CHEMBL205242 | N-((R)-6-((tert-butylamino)methyl)-...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C31H40N4O3S/c1-31(2,3)33-20-22-13-14-26-23(18-22)8-6-11-28(26)34-30(36)19-25-10-4-5-17-35(25)39(37,38)29-12-7-9-24-21-32-16-15-27(24)29/h7,9,12-16,18,21,25,28,33H,4-6,8,10-11,17,19-20H2,1-3H3,(H,34,36)/t25-,28+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.30E+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