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SMILES: COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)CCCc2ccc3cccnc3n2)c(F)c1

InChI Key: InChIKey=PJKNCFGLXAEWPG-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50393162   
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
Succinate receptor 1


(Homo sapiens (Human))
BDBM50393162
PNG
(CHEMBL2153436)
Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)CCCc2ccc3cccnc3n2)c(F)c1
Show InChI InChI=1S/C27H23F2N3O3/c1-35-27(34)25-21(7-3-8-22(25)28)18-10-11-19(23(29)15-18)16-31-24(33)9-2-6-20-13-12-17-5-4-14-30-26(17)32-20/h3-5,7-8,10-15H,2,6,9,16H2,1H3,(H,31,33)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Advinus Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR91 receptor expressed in CHO-K1 cells co-expressing Galpha and Gqi5 G-protein assessed as inhibition of succinate-ind...


Bioorg Med Chem Lett 21: 3596-602 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.091
BindingDB Entry DOI: 10.7270/Q2BK1DG6
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50393162
PNG
(CHEMBL2153436)
Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)CCCc2ccc3cccnc3n2)c(F)c1
Show InChI InChI=1S/C27H23F2N3O3/c1-35-27(34)25-21(7-3-8-22(25)28)18-10-11-19(23(29)15-18)16-31-24(33)9-2-6-20-13-12-17-5-4-14-30-26(17)32-20/h3-5,7-8,10-15H,2,6,9,16H2,1H3,(H,31,33)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Advinus Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in human CHO cells assessed as inhibition of calcium flux by FLIPR assay


Bioorg Med Chem Lett 21: 3596-602 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.091
BindingDB Entry DOI: 10.7270/Q2BK1DG6
More data for this
Ligand-Target Pair