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BDBM50360594 CHEMBL1933360

SMILES: CCCC(Oc1cnn(c1)-c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O

InChI Key: InChIKey=RSJWMKGJEAKNNJ-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50360594   
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 receptor


(Homo sapiens (Human))
BDBM50360594
PNG
(CHEMBL1933360)
Show SMILES CCCC(Oc1cnn(c1)-c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C24H24F3N3O4/c1-2-3-21(16-4-6-17(7-5-16)23(33)28-13-12-22(31)32)34-20-14-29-30(15-20)19-10-8-18(9-11-19)24(25,26)27/h4-11,14-15,21H,2-3,12-13H2,1H3,(H,28,33)(H,31,32)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
91n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]Glucagon-Cex from human GCGR


Bioorg Med Chem Lett 22: 415-20 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.113
BindingDB Entry DOI: 10.7270/Q2H70G82
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50360594
PNG
(CHEMBL1933360)
Show SMILES CCCC(Oc1cnn(c1)-c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C24H24F3N3O4/c1-2-3-21(16-4-6-17(7-5-16)23(33)28-13-12-22(31)32)34-20-14-29-30(15-20)19-10-8-18(9-11-19)24(25,26)27/h4-11,14-15,21H,2-3,12-13H2,1H3,(H,28,33)(H,31,32)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
91n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]Glucagon-Cex from human GCGR


Bioorg Med Chem Lett 22: 415-20 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.113
BindingDB Entry DOI: 10.7270/Q2H70G82
More data for this
Ligand-Target Pair
Gastric inhibitory polypeptide receptor


(Homo sapiens (Human))
BDBM50360594
PNG
(CHEMBL1933360)
Show SMILES CCCC(Oc1cnn(c1)-c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C24H24F3N3O4/c1-2-3-21(16-4-6-17(7-5-16)23(33)28-13-12-22(31)32)34-20-14-29-30(15-20)19-10-8-18(9-11-19)24(25,26)27/h4-11,14-15,21H,2-3,12-13H2,1H3,(H,28,33)(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.08E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]GIP from human GIPR


Bioorg Med Chem Lett 22: 415-20 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.113
BindingDB Entry DOI: 10.7270/Q2H70G82
More data for this
Ligand-Target Pair
Gastric inhibitory polypeptide receptor


(Homo sapiens (Human))
BDBM50360594
PNG
(CHEMBL1933360)
Show SMILES CCCC(Oc1cnn(c1)-c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C24H24F3N3O4/c1-2-3-21(16-4-6-17(7-5-16)23(33)28-13-12-22(31)32)34-20-14-29-30(15-20)19-10-8-18(9-11-19)24(25,26)27/h4-11,14-15,21H,2-3,12-13H2,1H3,(H,28,33)(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.08E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]GIP from human GIPR


Bioorg Med Chem Lett 22: 415-20 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.113
BindingDB Entry DOI: 10.7270/Q2H70G82
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor (GLP-1)


(Homo sapiens (Human))
BDBM50360594
PNG
(CHEMBL1933360)
Show SMILES CCCC(Oc1cnn(c1)-c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C24H24F3N3O4/c1-2-3-21(16-4-6-17(7-5-16)23(33)28-13-12-22(31)32)34-20-14-29-30(15-20)19-10-8-18(9-11-19)24(25,26)27/h4-11,14-15,21H,2-3,12-13H2,1H3,(H,28,33)(H,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.65E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]GLP-1 from human GLP1R


Bioorg Med Chem Lett 22: 415-20 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.113
BindingDB Entry DOI: 10.7270/Q2H70G82
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor (GLP-1)


(Homo sapiens (Human))
BDBM50360594
PNG
(CHEMBL1933360)
Show SMILES CCCC(Oc1cnn(c1)-c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C24H24F3N3O4/c1-2-3-21(16-4-6-17(7-5-16)23(33)28-13-12-22(31)32)34-20-14-29-30(15-20)19-10-8-18(9-11-19)24(25,26)27/h4-11,14-15,21H,2-3,12-13H2,1H3,(H,28,33)(H,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.65E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]GLP-1 from human GLP1R


Bioorg Med Chem Lett 22: 415-20 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.113
BindingDB Entry DOI: 10.7270/Q2H70G82
More data for this
Ligand-Target Pair