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BDBM61835 MLS001003888::N-[(6-fluoranyl-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine::N-[(6-fluoro-2,3-dihydro-1-benzothiopyran-4-ylidene)amino]-2-pyridinamine::N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine::SMR000377665::[(6-fluorothiochroman-4-ylidene)amino]-(2-pyridyl)amine::cid_3355664

SMILES: Fc1ccc2SCCC(=NNc3ccccn3)c2c1

InChI Key: InChIKey=TVBVWQBKHMVVAE-UHFFFAOYSA-N

Data: 2 EC50

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 = 61835   
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 1


(Homo sapiens (Human))
BDBM61835
PNG
(MLS001003888 | N-[(6-fluoranyl-2,3-dihydrothiochro...)
Show SMILES Fc1ccc2SCCC(=NNc3ccccn3)c2c1 |w:9.9|
Show InChI InChI=1S/C14H12FN3S/c15-10-4-5-13-11(9-10)12(6-8-19-13)17-18-14-3-1-2-7-16-14/h1-5,7,9H,6,8H2,(H,16,18)
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.24E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM61835
PNG
(MLS001003888 | N-[(6-fluoranyl-2,3-dihydrothiochro...)
Show SMILES Fc1ccc2SCCC(=NNc3ccccn3)c2c1 |w:9.9|
Show InChI InChI=1S/C14H12FN3S/c15-10-4-5-13-11(9-10)12(6-8-19-13)17-18-14-3-1-2-7-16-14/h1-5,7,9H,6,8H2,(H,16,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.13E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2251GM6
More data for this
Ligand-Target Pair