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BDBM42049 4-(8-Fluoro-5H-pyrimido[5,4-b]indol-4-yl)-piperazine-1-carboxylic acid ethyl ester::4-(8-fluoro-5H-pyrimid[5,4-b]indol-4-yl)piperazine-1-carboxylic acid ethyl ester::4-(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)-1-piperazinecarboxylic acid ethyl ester::MLS000555912::SMR000147429::cid_919665::ethyl 4-(8-fluoranyl-5H-pyrimido[5,4-b]indol-4-yl)piperazine-1-carboxylate::ethyl 4-(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)piperazine-1-carboxylate

SMILES: CCOC(=O)N1CCN(CC1)c1ncnc2c3cc(F)ccc3[nH]c12

InChI Key: InChIKey=VRAMQXNVVSJLFN-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 = 42049   
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))
BDBM42049
PNG
(4-(8-Fluoro-5H-pyrimido[5,4-b]indol-4-yl)-piperazi...)
Show SMILES CCOC(=O)N1CCN(CC1)c1ncnc2c3cc(F)ccc3[nH]c12
Show InChI InChI=1S/C17H18FN5O2/c1-2-25-17(24)23-7-5-22(6-8-23)16-15-14(19-10-20-16)12-9-11(18)3-4-13(12)21-15/h3-4,9-10,21H,2,5-8H2,1H3
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>4.20E+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 Provid...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2W094B7
More data for this
Ligand-Target Pair
Galanin receptor 2


(Homo sapiens (Human))
BDBM42049
PNG
(4-(8-Fluoro-5H-pyrimido[5,4-b]indol-4-yl)-piperazi...)
Show SMILES CCOC(=O)N1CCN(CC1)c1ncnc2c3cc(F)ccc3[nH]c12
Show InChI InChI=1S/C17H18FN5O2/c1-2-25-17(24)23-7-5-22(6-8-23)16-15-14(19-10-20-16)12-9-11(18)3-4-13(12)21-15/h3-4,9-10,21H,2,5-8H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.56E+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 Florida Research Institute, TSRI Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2D21W05
More data for this
Ligand-Target Pair