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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50419900   
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
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50419900
PNG
(CHEMBL1956718)
Show SMILES [#6]-c1cc(-[#6])c2cccc(-[#8]-[#6]-c3c(Cl)ccc(c3Cl)S(=O)(=O)[#7]C3([#6]-[#6]-[#8]-[#6]-[#6]3)[#6](=O)-[#7]-3-[#6]-[#6]-[#7](-[#6]-[#6]-3)-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])c2n1 |r|
Show InChI InChI=1S/C34H44Cl2N8O6S/c1-21-19-22(2)41-30-23(21)5-3-7-27(30)50-20-24-25(35)8-9-28(29(24)36)51(47,48)42-34(10-17-49-18-11-34)32(46)44-15-13-43(14-16-44)31(45)26(37)6-4-12-40-33(38)39/h3,5,7-9,19,26,42H,4,6,10-18,20,37H2,1-2H3,(H4,38,39,40)/t26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.126n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting


Bioorg Med Chem 20: 2091-100 (2012)


Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50419900
PNG
(CHEMBL1956718)
Show SMILES [#6]-c1cc(-[#6])c2cccc(-[#8]-[#6]-c3c(Cl)ccc(c3Cl)S(=O)(=O)[#7]C3([#6]-[#6]-[#8]-[#6]-[#6]3)[#6](=O)-[#7]-3-[#6]-[#6]-[#7](-[#6]-[#6]-3)-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])c2n1 |r|
Show InChI InChI=1S/C34H44Cl2N8O6S/c1-21-19-22(2)41-30-23(21)5-3-7-27(30)50-20-24-25(35)8-9-28(29(24)36)51(47,48)42-34(10-17-49-18-11-34)32(46)44-15-13-43(14-16-44)31(45)26(37)6-4-12-40-33(38)39/h3,5,7-9,19,26,42H,4,6,10-18,20,37H2,1-2H3,(H4,38,39,40)/t26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H][desArg9]Lys-Bradykinin from human bradykinin B1 receptor expressed in CHO cells


Bioorg Med Chem 20: 2091-100 (2012)


Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX
More data for this
Ligand-Target Pair