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BDBM96714 3,4-dihydro-2H-carbazol-1-yl(phenethyl)amine;hydrochloride::MLS001029433::N-(2-phenylethyl)-3,4-dihydro-2H-carbazol-1-amine;hydrochloride::Phenethyl-[2,3,4,9-tetrahydro-carbazol-(1E)-ylidene]-amine::SMR000425552::cid_16682005

SMILES: C(Cc1ccccc1)N=C1CCCc2c1[nH]c1ccccc21

InChI Key: InChIKey=OFKPNWSGKKQHTO-XUTLUUPISA-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 = 96714   
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))
BDBM96714
PNG
(3,4-dihydro-2H-carbazol-1-yl(phenethyl)amine;hydro...)
Show SMILES C(Cc1ccccc1)N=C1CCCc2c1[nH]c1ccccc21
Show InChI InChI=1S/C20H20N2/c1-2-7-15(8-3-1)13-14-21-19-12-6-10-17-16-9-4-5-11-18(16)22-20(17)19/h1-5,7-9,11,22H,6,10,12-14H2/b21-19+
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PC cid
PC sid
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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))
BDBM96714
PNG
(3,4-dihydro-2H-carbazol-1-yl(phenethyl)amine;hydro...)
Show SMILES C(Cc1ccccc1)N=C1CCCc2c1[nH]c1ccccc21
Show InChI InChI=1S/C20H20N2/c1-2-7-15(8-3-1)13-14-21-19-12-6-10-17-16-9-4-5-11-18(16)22-20(17)19/h1-5,7-9,11,22H,6,10,12-14H2/b21-19+
UniProtKB/SwissProt

GoogleScholar
Purchase

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))
BDBM96714
PNG
(3,4-dihydro-2H-carbazol-1-yl(phenethyl)amine;hydro...)
Show SMILES C(Cc1ccccc1)N=C1CCCc2c1[nH]c1ccccc21
Show InChI InChI=1S/C20H20N2/c1-2-7-15(8-3-1)13-14-21-19-12-6-10-17-16-9-4-5-11-18(16)22-20(17)19/h1-5,7-9,11,22H,6,10,12-14H2/b21-19+
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PCBioAssay
n/an/an/an/a 106n/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))
BDBM96714
PNG
(3,4-dihydro-2H-carbazol-1-yl(phenethyl)amine;hydro...)
Show SMILES C(Cc1ccccc1)N=C1CCCc2c1[nH]c1ccccc21
Show InChI InChI=1S/C20H20N2/c1-2-7-15(8-3-1)13-14-21-19-12-6-10-17-16-9-4-5-11-18(16)22-20(17)19/h1-5,7-9,11,22H,6,10,12-14H2/b21-19+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 341n/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