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BDBM61840 (3-fluoranyl-4-methoxy-phenyl)methyl 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate::(3-fluoro-4-methoxyphenyl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate::9-keto-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid (3-fluoro-4-methoxy-benzyl) ester::9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid (3-fluoro-4-methoxyphenyl)methyl ester::MLS000771330::SMR000344393::cid_2514495

SMILES: COc1ccc(COC(=O)c2ccc3c(c2)nc2CCCn2c3=O)cc1F

InChI Key: InChIKey=BAABFLPXHTWGFU-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 = 61840   
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))
BDBM61840
PNG
((3-fluoranyl-4-methoxy-phenyl)methyl 9-oxidanylide...)
Show SMILES COc1ccc(COC(=O)c2ccc3c(c2)nc2CCCn2c3=O)cc1F
Show InChI InChI=1S/C20H17FN2O4/c1-26-17-7-4-12(9-15(17)21)11-27-20(25)13-5-6-14-16(10-13)22-18-3-2-8-23(18)19(14)24/h4-7,9-10H,2-3,8,11H2,1H3
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.54E+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))
BDBM61840
PNG
((3-fluoranyl-4-methoxy-phenyl)methyl 9-oxidanylide...)
Show SMILES COc1ccc(COC(=O)c2ccc3c(c2)nc2CCCn2c3=O)cc1F
Show InChI InChI=1S/C20H17FN2O4/c1-26-17-7-4-12(9-15(17)21)11-27-20(25)13-5-6-14-16(10-13)22-18-3-2-8-23(18)19(14)24/h4-7,9-10H,2-3,8,11H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.54E+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