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BDBM50293893 3-{5-chloro-4-[2-methyl-4-(2-methyl-2H-pyrazol-3-yl)-quinolin-8-yloxymethyl]-pyridin-3-yl}-propionamide::CHEMBL562097

SMILES: Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3CCC(N)=O)c2n1

InChI Key: InChIKey=GQKVANOGMZRUAR-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50293893   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50293893
PNG
(3-{5-chloro-4-[2-methyl-4-(2-methyl-2H-pyrazol-3-y...)
Show SMILES Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3CCC(N)=O)c2n1
Show InChI InChI=1S/C23H22ClN5O2/c1-14-10-17(20-8-9-27-29(20)2)16-4-3-5-21(23(16)28-14)31-13-18-15(6-7-22(25)30)11-26-12-19(18)24/h3-5,8-12H,6-7,13H2,1-2H3,(H2,25,30)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Displacement of [3H]bradykinin from human recombinant B2 receptor expressed in HEK293 cells


J Med Chem 52: 4370-9 (2009)


Article DOI: 10.1021/jm9002445
BindingDB Entry DOI: 10.7270/Q2KS6RKT
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50293893
PNG
(3-{5-chloro-4-[2-methyl-4-(2-methyl-2H-pyrazol-3-y...)
Show SMILES Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3CCC(N)=O)c2n1
Show InChI InChI=1S/C23H22ClN5O2/c1-14-10-17(20-8-9-27-29(20)2)16-4-3-5-21(23(16)28-14)31-13-18-15(6-7-22(25)30)11-26-12-19(18)24/h3-5,8-12H,6-7,13H2,1-2H3,(H2,25,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Antagonist activity at B2 receptor in human HF15 cells assessed as inhibition of bradykinin-induced calcium mobilization


J Med Chem 52: 4370-9 (2009)


Article DOI: 10.1021/jm9002445
BindingDB Entry DOI: 10.7270/Q2KS6RKT
More data for this
Ligand-Target Pair