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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bradykinin B1 receptor' and Ligand = 'BDBM50344114'   
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
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344114
PNG
(CHEMBL1777972 | N-((R)-6-((4-methylpiperazin-1-yl)...)
Show SMILES CN1CCN(Cc2ccc3[C@@H](CCCc3c2)NC(=O)C[C@H]2N(CCNC2=O)S(=O)(=O)c2ccc(C)cc2)CC1 |r|
Show InChI InChI=1S/C29H39N5O4S/c1-21-6-9-24(10-7-21)39(37,38)34-13-12-30-29(36)27(34)19-28(35)31-26-5-3-4-23-18-22(8-11-25(23)26)20-33-16-14-32(2)15-17-33/h6-11,18,26-27H,3-5,12-17,19-20H2,1-2H3,(H,30,36)(H,31,35)/t26-,27-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.40n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344114
PNG
(CHEMBL1777972 | N-((R)-6-((4-methylpiperazin-1-yl)...)
Show SMILES CN1CCN(Cc2ccc3[C@@H](CCCc3c2)NC(=O)C[C@H]2N(CCNC2=O)S(=O)(=O)c2ccc(C)cc2)CC1 |r|
Show InChI InChI=1S/C29H39N5O4S/c1-21-6-9-24(10-7-21)39(37,38)34-13-12-30-29(36)27(34)19-28(35)31-26-5-3-4-23-18-22(8-11-25(23)26)20-33-16-14-32(2)15-17-33/h6-11,18,26-27H,3-5,12-17,19-20H2,1-2H3,(H,30,36)(H,31,35)/t26-,27-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.46n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO cells assessed as inhibition of agonist-induced calcium efflux by aquerin based ...


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
More data for this
Ligand-Target Pair