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BDBM50020580 1-[2-(3-Azido-phenyl)-ethyl]-4-(3-trifluoromethyl-phenyl)-piperazine::CHEMBL359124

SMILES: FC(F)(F)c1cccc(c1)N1CCN(CCc2cccc(c2)N=[N+]=[N-])CC1

InChI Key: InChIKey=QBWDPICEHBTNKL-UHFFFAOYSA-N

Data: 2 KI  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 4 hits for monomerid = 50020580   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50020580
PNG
(1-[2-(3-Azido-phenyl)-ethyl]-4-(3-trifluoromethyl-...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCc2cccc(c2)N=[N+]=[N-])CC1
Show InChI InChI=1S/C19H20F3N5/c20-19(21,22)16-4-2-6-18(14-16)27-11-9-26(10-12-27)8-7-15-3-1-5-17(13-15)24-25-23/h1-6,13-14H,7-12H2
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.5n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the inhibition of [3H]-DPAT (1 nM) binding to 5-HT1A receptor from bovine hippocampus


J Med Chem 32: 543-7 (1989)


Article DOI: 10.1021/jm00123a006
BindingDB Entry DOI: 10.7270/Q2H41QD3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50020580
PNG
(1-[2-(3-Azido-phenyl)-ethyl]-4-(3-trifluoromethyl-...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCc2cccc(c2)N=[N+]=[N-])CC1
Show InChI InChI=1S/C19H20F3N5/c20-19(21,22)16-4-2-6-18(14-16)27-11-9-26(10-12-27)8-7-15-3-1-5-17(13-15)24-25-23/h1-6,13-14H,7-12H2
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.5n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the inhibition of [3H]-5-HT (2 nM) binding to 5-hydroxytryptamine 1A receptor from bovine hippocampus


J Med Chem 32: 543-7 (1989)


Article DOI: 10.1021/jm00123a006
BindingDB Entry DOI: 10.7270/Q2H41QD3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50020580
PNG
(1-[2-(3-Azido-phenyl)-ethyl]-4-(3-trifluoromethyl-...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCc2cccc(c2)N=[N+]=[N-])CC1
Show InChI InChI=1S/C19H20F3N5/c20-19(21,22)16-4-2-6-18(14-16)27-11-9-26(10-12-27)8-7-15-3-1-5-17(13-15)24-25-23/h1-6,13-14H,7-12H2
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the inhibition of [3H]-5-HT (2 nM) binding to 5-HT1A receptor from bovine hippocampus


J Med Chem 32: 543-7 (1989)


Article DOI: 10.1021/jm00123a006
BindingDB Entry DOI: 10.7270/Q2H41QD3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50020580
PNG
(1-[2-(3-Azido-phenyl)-ethyl]-4-(3-trifluoromethyl-...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCc2cccc(c2)N=[N+]=[N-])CC1
Show InChI InChI=1S/C19H20F3N5/c20-19(21,22)16-4-2-6-18(14-16)27-11-9-26(10-12-27)8-7-15-3-1-5-17(13-15)24-25-23/h1-6,13-14H,7-12H2
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the inhibition of [3H]-DPAT (1 nM) binding to 5-HT1A receptor from bovine hippocampus


J Med Chem 32: 543-7 (1989)


Article DOI: 10.1021/jm00123a006
BindingDB Entry DOI: 10.7270/Q2H41QD3
More data for this
Ligand-Target Pair