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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 = 'BDBM50202423'   
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))
BDBM50202423
PNG
(CHEMBL221695 | N-{(1R)-1-[3,3'-difluoro-2'-(triflu...)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)C(F)(F)F)c1ccc(cc1F)-c1cccc(F)c1C(F)(F)F |r|
Show InChI InChI=1S/C21H16F8N2O2/c1-10(30-17(32)19(7-8-19)31-18(33)21(27,28)29)12-6-5-11(9-15(12)23)13-3-2-4-14(22)16(13)20(24,25)26/h2-6,9-10H,7-8H2,1H3,(H,30,32)(H,31,33)/t10-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.44n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]des-Arg10 Leu9 kallidin from human bradykinin B1 receptor expressed in CHO cells


J Med Chem 50: 272-82 (2007)


Article DOI: 10.1021/jm061094b
BindingDB Entry DOI: 10.7270/Q2X63MMQ
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50202423
PNG
(CHEMBL221695 | N-{(1R)-1-[3,3'-difluoro-2'-(triflu...)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)C(F)(F)F)c1ccc(cc1F)-c1cccc(F)c1C(F)(F)F |r|
Show InChI InChI=1S/C21H16F8N2O2/c1-10(30-17(32)19(7-8-19)31-18(33)21(27,28)29)12-6-5-11(9-15(12)23)13-3-2-4-14(22)16(13)20(24,25)26/h2-6,9-10H,7-8H2,1H3,(H,30,32)(H,31,33)/t10-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human bradykinin B1 receptor assessed as inhibition of Des-arg kallidin-induced increase of cytosolic calcium in CHO cells by FLIPR


J Med Chem 50: 272-82 (2007)


Article DOI: 10.1021/jm061094b
BindingDB Entry DOI: 10.7270/Q2X63MMQ
More data for this
Ligand-Target Pair