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2 similar compounds to monomer 100805

Compile data set for download or QSAR
Wt: 516.5
BDBM2437
Wt: 544.5
BDBM2438

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 2437,2438   
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))
BDBM2437
PNG
(US8507533, 157)
Show SMILES CC1(C)CC(C1)C(Nc1cnc(nc1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1/C25H27F3N6O3/c1-24(2)9-17(10-24)21(15-3-5-16(6-4-15)22(37)29-8-7-20(35)36)33-19-12-30-23(31-13-19)34-14-18(11-32-34)25(26,27)28/h3-6,11-14,17,21,33H,7-10H2,1-2H3,(H,29,37)(H,35,36)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
5.55n/an/an/an/an/an/an/an/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))
BDBM2437
PNG
(US8507533, 157)
Show SMILES CC1(C)CC(C1)C(Nc1cnc(nc1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1/C25H27F3N6O3/c1-24(2)9-17(10-24)21(15-3-5-16(6-4-15)22(37)29-8-7-20(35)36)33-19-12-30-23(31-13-19)34-14-18(11-32-34)25(26,27)28/h3-6,11-14,17,21,33H,7-10H2,1-2H3,(H,29,37)(H,35,36)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-glucagon from human glucagon receptor expressed in Chem-1 cell membranes after 6 to 10 hrs by scintillation proximity assay


Bioorg Med Chem Lett 25: 4057-64 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.092
BindingDB Entry DOI: 10.7270/Q2HM5B7N
More data for this
Ligand-Target Pair
Glucagon


(Homo sapiens (Human))
BDBM2438
PNG
(US8507533, 158)
Show SMILES CCOC(=O)CCNC(=O)c1ccc(cc1)C(Nc1cnc(nc1)-n1cc(cn1)C(F)(F)F)C1CC(C)(C)C1
Show InChI InChI=1/C27H31F3N6O3/c1-4-39-22(37)9-10-31-24(38)18-7-5-17(6-8-18)23(19-11-26(2,3)12-19)35-21-14-32-25(33-15-21)36-16-20(13-34-36)27(28,29)30/h5-8,13-16,19,23,35H,4,9-12H2,1-3H3,(H,31,38)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
41n/an/an/an/an/an/an/an/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