BindingDB logo
myBDB logout

BDBM42433 MLS000388782::N-tert-butyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide::N-tert-butyl-3-(phenoxymethyl)-2-benzofurancarboxamide::N-tert-butyl-3-(phenoxymethyl)coumarilamide::SMR000254955::cid_2669460

SMILES: CC(C)(C)NC(=O)c1oc2ccccc2c1COc1ccccc1

InChI Key: InChIKey=GFYJFCLWQQKBHO-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 = 42433   
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
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM42433
PNG
(MLS000388782 | N-tert-butyl-3-(phenoxymethyl)-1-be...)
Show SMILES CC(C)(C)NC(=O)c1oc2ccccc2c1COc1ccccc1
Show InChI InChI=1S/C20H21NO3/c1-20(2,3)21-19(22)18-16(13-23-14-9-5-4-6-10-14)15-11-7-8-12-17(15)24-18/h4-12H,13H2,1-3H3,(H,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.50E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2V1235Z
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM42433
PNG
(MLS000388782 | N-tert-butyl-3-(phenoxymethyl)-1-be...)
Show SMILES CC(C)(C)NC(=O)c1oc2ccccc2c1COc1ccccc1
Show InChI InChI=1S/C20H21NO3/c1-20(2,3)21-19(22)18-16(13-23-14-9-5-4-6-10-14)15-11-7-8-12-17(15)24-18/h4-12H,13H2,1-3H3,(H,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.89E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2ZS2TWK
More data for this
Ligand-Target Pair