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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 = 'BDBM50344092'   
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))
BDBM50344092
PNG
(2-(1-(2,4-dichlorophenylsulfonyl)-3-oxopiperazin-2...)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)N1CCNC(=O)C1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C28H34Cl2N4O4S/c29-21-8-10-26(23(30)16-21)39(37,38)34-14-11-31-28(36)25(34)17-27(35)32-24-6-4-5-20-15-19(7-9-22(20)24)18-33-12-2-1-3-13-33/h7-10,15-16,24-25H,1-6,11-14,17-18H2,(H,31,36)(H,32,35)/t24-,25?/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.210n/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))
BDBM50344092
PNG
(2-(1-(2,4-dichlorophenylsulfonyl)-3-oxopiperazin-2...)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)N1CCNC(=O)C1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C28H34Cl2N4O4S/c29-21-8-10-26(23(30)16-21)39(37,38)34-14-11-31-28(36)25(34)17-27(35)32-24-6-4-5-20-15-19(7-9-22(20)24)18-33-12-2-1-3-13-33/h7-10,15-16,24-25H,1-6,11-14,17-18H2,(H,31,36)(H,32,35)/t24-,25?/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.640n/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