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BDBM42449 3-fluoranyl-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide::3-fluoro-N-[2-[(3,6,7-trimethyl-2-quinolinyl)amino]ethyl]benzamide::3-fluoro-N-[2-[(3,6,7-trimethyl-2-quinolyl)amino]ethyl]benzamide::3-fluoro-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide::MLS000688426::SMR000284362::cid_3206677

SMILES: Cc1cc2cc(C)c(NCCNC(=O)c3cccc(F)c3)nc2cc1C

InChI Key: InChIKey=DZVKSBHFEHSULL-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 = 42449   
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))
BDBM42449
PNG
(3-fluoranyl-N-[2-[(3,6,7-trimethylquinolin-2-yl)am...)
Show SMILES Cc1cc2cc(C)c(NCCNC(=O)c3cccc(F)c3)nc2cc1C
Show InChI InChI=1S/C21H22FN3O/c1-13-9-17-10-15(3)20(25-19(17)11-14(13)2)23-7-8-24-21(26)16-5-4-6-18(22)12-16/h4-6,9-12H,7-8H2,1-3H3,(H,23,25)(H,24,26)
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PC cid
PC sid
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Similars

PCBioAssay
n/an/a 4.44E+3n/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))
BDBM42449
PNG
(3-fluoranyl-N-[2-[(3,6,7-trimethylquinolin-2-yl)am...)
Show SMILES Cc1cc2cc(C)c(NCCNC(=O)c3cccc(F)c3)nc2cc1C
Show InChI InChI=1S/C21H22FN3O/c1-13-9-17-10-15(3)20(25-19(17)11-14(13)2)23-7-8-24-21(26)16-5-4-6-18(22)12-16/h4-6,9-12H,7-8H2,1-3H3,(H,23,25)(H,24,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.39E+3n/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