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BDBM50358673 CHEMBL1922025

SMILES: COc1ccc(Nc2nc(Nc3ccc(OC)c(F)c3)cc(n2)N2CCCN(CC2)C(=O)OC(C)(C)C)cc1

InChI Key: InChIKey=DGAHYYLIRNCMBX-UHFFFAOYSA-N

Data: 2 IC50

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 = 50358673   
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
Galanin receptor 2


(Homo sapiens (Human))
BDBM50358673
PNG
(CHEMBL1922025)
Show SMILES COc1ccc(Nc2nc(Nc3ccc(OC)c(F)c3)cc(n2)N2CCCN(CC2)C(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C28H35FN6O4/c1-28(2,3)39-27(36)35-14-6-13-34(15-16-35)25-18-24(30-20-9-12-23(38-5)22(29)17-20)32-26(33-25)31-19-7-10-21(37-4)11-8-19/h7-12,17-18H,6,13-16H2,1-5H3,(H2,30,31,32,33)
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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.07E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]galanin from GalR2 by gamma counting


Bioorg Med Chem Lett 21: 7210-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.033
BindingDB Entry DOI: 10.7270/Q2JS9QVT
More data for this
Ligand-Target Pair
GALR1


(Homo sapiens (Human))
BDBM50358673
PNG
(CHEMBL1922025)
Show SMILES COc1ccc(Nc2nc(Nc3ccc(OC)c(F)c3)cc(n2)N2CCCN(CC2)C(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C28H35FN6O4/c1-28(2,3)39-27(36)35-14-6-13-34(15-16-35)25-18-24(30-20-9-12-23(38-5)22(29)17-20)32-26(33-25)31-19-7-10-21(37-4)11-8-19/h7-12,17-18H,6,13-16H2,1-5H3,(H2,30,31,32,33)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.82E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]galanin from GalR1 by gamma counting


Bioorg Med Chem Lett 21: 7210-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.033
BindingDB Entry DOI: 10.7270/Q2JS9QVT
More data for this
Ligand-Target Pair