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BDBM30675 3-Fluoro-N-{1-[(2-fluoro-benzylcarbamoyl)-methyl]-piperidin-4-yl}-benzamide::3-fluoranyl-N-[1-[2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-4-yl]benzamide::3-fluoro-N-[1-[2-[(2-fluorobenzyl)amino]-2-keto-ethyl]-4-piperidyl]benzamide::3-fluoro-N-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-4-piperidinyl]benzamide::3-fluoro-N-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide::MLS000076389::SMR000006735::cid_651951

SMILES: Fc1cccc(c1)C(=O)NC1CCN(CC(=O)NCc2ccccc2F)CC1

InChI Key: InChIKey=LCKPOKXYAUIJPJ-UHFFFAOYSA-N

Data: 1 IC50  1 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 = 30675   
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
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM30675
PNG
(3-Fluoro-N-{1-[(2-fluoro-benzylcarbamoyl)-methyl]-...)
Show SMILES Fc1cccc(c1)C(=O)NC1CCN(CC(=O)NCc2ccccc2F)CC1
Show InChI InChI=1S/C21H23F2N3O2/c22-17-6-3-5-15(12-17)21(28)25-18-8-10-26(11-9-18)14-20(27)24-13-16-4-1-2-7-19(16)23/h1-7,12,18H,8-11,13-14H2,(H,24,27)(H,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.32E+4n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM30675
PNG
(3-Fluoro-N-{1-[(2-fluoro-benzylcarbamoyl)-methyl]-...)
Show SMILES Fc1cccc(c1)C(=O)NC1CCN(CC(=O)NCc2ccccc2F)CC1
Show InChI InChI=1S/C21H23F2N3O2/c22-17-6-3-5-15(12-17)21(28)25-18-8-10-26(11-9-18)14-20(27)24-13-16-4-1-2-7-19(16)23/h1-7,12,18H,8-11,13-14H2,(H,24,27)(H,25,28)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 9.90E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q21N7ZG0
More data for this
Ligand-Target Pair