BindingDB logo
myBDB logout

BDBM100805 US8507533, 113

SMILES: CCCC(Nc1cnc(nc1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O

InChI Key: InChIKey=JYBVCXGFJLXTCP-UHFFFAOYNA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 100805   
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
Glucagon


(Homo sapiens (Human))
BDBM100805
PNG
(US8507533, 113)
Show SMILES CCCC(Nc1cnc(nc1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1/C22H23F3N6O3/c1-2-3-18(14-4-6-15(7-5-14)20(34)26-9-8-19(32)33)30-17-11-27-21(28-12-17)31-13-16(10-29-31)22(23,24)25/h4-7,10-13,18,30H,2-3,8-9H2,1H3,(H,26,34)(H,32,33)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
38.2n/an/an/an/an/an/a7.4n/a



Pfizer Inc.

US Patent


Assay Description
The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.


US Patent US8507533 (2013)


BindingDB Entry DOI: 10.7270/Q23R0RGH
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM100805
PNG
(US8507533, 113)
Show SMILES CCCC(Nc1cnc(nc1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1/C22H23F3N6O3/c1-2-3-18(14-4-6-15(7-5-14)20(34)26-9-8-19(32)33)30-17-11-27-21(28-12-17)31-13-16(10-29-31)22(23,24)25/h4-7,10-13,18,30H,2-3,8-9H2,1H3,(H,26,34)(H,32,33)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin


Bioorg Med Chem Lett 23: 3051-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.014
BindingDB Entry DOI: 10.7270/Q27M099R
More data for this
Ligand-Target Pair