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BDBM96785 MLS001100781::N-[2-(2-fluorophenyl)ethyl]-2-[3-keto-1-(2-pyridylmethyl)piperazin-2-yl]acetamide::N-[2-(2-fluorophenyl)ethyl]-2-[3-oxidanylidene-1-(pyridin-2-ylmethyl)piperazin-2-yl]ethanamide::N-[2-(2-fluorophenyl)ethyl]-2-[3-oxo-1-(2-pyridinylmethyl)-2-piperazinyl]acetamide::N-[2-(2-fluorophenyl)ethyl]-2-[3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide::SMR000670077::cid_24793216

SMILES: Fc1ccccc1CCNC(=O)CC1N(Cc2ccccn2)CCNC1=O

InChI Key: InChIKey=NMOAQENNBHVGCP-UHFFFAOYSA-N

Data: 2 IC50  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 4 hits for monomerid = 96785   
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
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96785
PNG
(MLS001100781 | N-[2-(2-fluorophenyl)ethyl]-2-[3-ke...)
Show SMILES Fc1ccccc1CCNC(=O)CC1N(Cc2ccccn2)CCNC1=O
Show InChI InChI=1S/C20H23FN4O2/c21-17-7-2-1-5-15(17)8-10-23-19(26)13-18-20(27)24-11-12-25(18)14-16-6-3-4-9-22-16/h1-7,9,18H,8,10-14H2,(H,23,26)(H,24,27)
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96785
PNG
(MLS001100781 | N-[2-(2-fluorophenyl)ethyl]-2-[3-ke...)
Show SMILES Fc1ccccc1CCNC(=O)CC1N(Cc2ccccn2)CCNC1=O
Show InChI InChI=1S/C20H23FN4O2/c21-17-7-2-1-5-15(17)8-10-23-19(26)13-18-20(27)24-11-12-25(18)14-16-6-3-4-9-22-16/h1-7,9,18H,8,10-14H2,(H,23,26)(H,24,27)
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>2.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2QZ28KG
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM96785
PNG
(MLS001100781 | N-[2-(2-fluorophenyl)ethyl]-2-[3-ke...)
Show SMILES Fc1ccccc1CCNC(=O)CC1N(Cc2ccccn2)CCNC1=O
Show InChI InChI=1S/C20H23FN4O2/c21-17-7-2-1-5-15(17)8-10-23-19(26)13-18-20(27)24-11-12-25(18)14-16-6-3-4-9-22-16/h1-7,9,18H,8,10-14H2,(H,23,26)(H,24,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.12E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24748HT
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM96785
PNG
(MLS001100781 | N-[2-(2-fluorophenyl)ethyl]-2-[3-ke...)
Show SMILES Fc1ccccc1CCNC(=O)CC1N(Cc2ccccn2)CCNC1=O
Show InChI InChI=1S/C20H23FN4O2/c21-17-7-2-1-5-15(17)8-10-23-19(26)13-18-20(27)24-11-12-25(18)14-16-6-3-4-9-22-16/h1-7,9,18H,8,10-14H2,(H,23,26)(H,24,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.23E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q280517J
More data for this
Ligand-Target Pair