null

SMILES NCCc1ccccc1

InChI Key InChIKey=BHHGXPLMPWCGHP-UHFFFAOYSA-N

PDB links: 7 PDB IDs match this monomer. 3 PDB IDs contain this monomer as substructures. 3 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 10758   

TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM10758(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)copy SMILEScopy InChI
Affinity DataKi:  2.10E+3nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2TT4PFZPubMed
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Virginia Commonwealth University

Curated by PDSP Ki Database
LigandPNGBDBM10758(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q237779JPubMed
Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM10758(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]ketanserin from rat 5HT2A expressed in mouse NIH/3T3 cell membranes after 30 mins by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DJ5HWMPubMed
TargetSerine protease 1(Homo sapiens (Human))
University of Parma

Curated by ChEMBL
LigandPNGBDBM10758(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)copy SMILEScopy InChI
Affinity DataKi:  1.10E+4nMAssay Description:Binding affinity against bovine trypsinMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q28916J7PubMed
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Virginia Commonwealth University

Curated by PDSP Ki Database
LigandPNGBDBM10758(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)copy SMILEScopy InChI
Affinity DataKi:  1.68E+4nMAssay Description:Binding affinity of the compound was performed using [3H]-ketanserin as the radioligand and stably transfected NIH3T3 cells expressing the 5-hydroxyt...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q23T9GJ6PubMed
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Virginia Commonwealth University

Curated by PDSP Ki Database
LigandPNGBDBM10758(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)copy SMILEScopy InChI
Affinity DataKi:  1.68E+4nMAssay Description:Displacement of [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KD1ZTRPubMed
Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM10758(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)copy SMILEScopy InChI
Affinity DataKi:  1.68E+4nMAssay Description:Binding affinity against 5-hydroxytryptamine 2A receptor expressed NIH3T3 cells using [3H]-ketanserinMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q29S1Q80PubMed
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM10758(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)copy SMILEScopy InChI
Affinity DataKi:  2.10E+4nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2TT4PFZPubMed
TargetPhenylethanolamine N-methyltransferase(Bos taurus (bovine))
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM10758(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)copy SMILEScopy InChI
Affinity DataKi:  2.20E+5nMAssay Description:Inhibition of bovine PNMT by radiochemical assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24B312RPubMed
TargetPhenylethanolamine N-methyltransferase(Bos taurus (bovine))
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM10758(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)copy SMILEScopy InChI
Affinity DataKi:  4.67E+5nMAssay Description:Inhibitory activity against Norepinephrine N-methyltransferase of bovine adrenal glandsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q22V2F57PubMed
TargetPhenylethanolamine N-methyltransferase(Bos taurus (bovine))
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM10758(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)copy SMILEScopy InChI
Affinity DataKi:  8.54E+5nMAssay Description:In vitro inhibitory activity against bovine phenylethanolamine N-methyl-transferaseMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2P55P32PubMed
TargetTrace amine-associated receptor 1(Mus musculus (Mouse))
Oregon Health & Science University

Curated by ChEMBL
LigandPNGBDBM10758(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)copy SMILEScopy InChI
Affinity DataEC50:  189nMAssay Description:Activation of mouse wild type TAAR1 expressed in HEK293 cells assessed as stimulation of cAMP production after 1 hr by chemiluminescent assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BC42HKPubMed
TargetTrace amine-associated receptor 1(Mus musculus (Mouse))
Oregon Health & Science University

Curated by ChEMBL
LigandPNGBDBM10758(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)copy SMILEScopy InChI
Affinity DataEC50:  59nMAssay Description:Activation of mouse TAAR1 transmembrane domain 7 Tyr287(7.39)Asn mutant expressed in HEK293 cells assessed as stimulation of cAMP production after 1 ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BC42HKPubMed
TargetTrace amine-associated receptor 1(Rattus norvegicus (Rat))
Oregon Health & Science University

Curated by ChEMBL
LigandPNGBDBM10758(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)copy SMILEScopy InChI
Affinity DataEC50:  171nMAssay Description:Activation of rat TAAR1 transmembrane domain 7 Asn287(7.39)Tyr mutant expressed in HEK293 cells assessed as stimulation of cAMP production after 1 hr...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BC42HKPubMed
TargetTrace amine-associated receptor 1(Rattus norvegicus (Rat))
Oregon Health & Science University

Curated by ChEMBL
LigandPNGBDBM10758(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)copy SMILEScopy InChI
Affinity DataEC50:  261nMAssay Description:Activation of rat TAAR1 transmembrane domain 6 Met268(6.55)Thr mutant expressed in HEK293 cells assessed as stimulation of cAMP production after 1 hr...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BC42HKPubMed
TargetTrace amine-associated receptor 1(Rattus norvegicus (Rat))
Oregon Health & Science University

Curated by ChEMBL
LigandPNGBDBM10758(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)copy SMILEScopy InChI
Affinity DataEC50:  40nMAssay Description:Activation of rat wild type TAAR1 expressed in HEK293 cells assessed as stimulation of cAMP production after 1 hr by chemiluminescent assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BC42HKPubMed
TargetTrace amine-associated receptor 1(Mus musculus (Mouse))
Oregon Health & Science University

Curated by ChEMBL
LigandPNGBDBM10758(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)copy SMILEScopy InChI
Affinity DataEC50:  47nMAssay Description:Activation of mouse TAAR1 transmembrane domain 6 Thr268(6.55)Met mutant expressed in HEK293 cells assessed as stimulation of cAMP production after 1 ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BC42HKPubMed
TargetTrace amine-associated receptor 1(Mus musculus (Mouse))
Oregon Health & Science University

Curated by ChEMBL
LigandPNGBDBM10758(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)copy SMILEScopy InChI
Affinity DataEC50:  138nMAssay Description:Agonist activity at mouse TAAR1 expressed in HEK293T cells assessed as induction of cAMP production by BRET assayMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2QZ2FNFPubMed
TargetSerine protease 1(Homo sapiens (Human))
University of Parma

Curated by ChEMBL
LigandPNGBDBM10758(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)copy SMILEScopy InChI
Affinity DataKd:  1.10E+7nMAssay Description:Binding affinity against trypsinMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MG7S8SPubMed
TargetTrace amine-associated receptor 1(Mus musculus (Mouse))
Oregon Health & Science University

Curated by ChEMBL
LigandPNGBDBM10758(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)copy SMILEScopy InChI
Affinity DataEC50:  120nMAssay Description:Agonist activity at mouse TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2445Q0TPubMed
TargetTrace amine-associated receptor 1(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM10758(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)copy SMILEScopy InChI
Affinity DataEC50:  130nMAssay Description:Agonist activity at human TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2445Q0TPubMed
TargetTrace amine-associated receptor 1(Rattus norvegicus (Rat))
Oregon Health & Science University

Curated by ChEMBL
LigandPNGBDBM10758(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)copy SMILEScopy InChI
Affinity DataEC50:  240nMAssay Description:Agonist activity at rat N-terminal FLAG-tagged TAAR1 expressed in HEK293 cells assessed as [3H]cAMP accumulation measured after 1 hrMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DJ5HWMPubMed
TargetLysyl oxidase homolog 2(Homo sapiens (Human))
PharmAkea Inc.

Curated by ChEMBL
LigandPNGBDBM10758(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)copy SMILEScopy InChI
Affinity DataIC50: 6.01E+4nMAssay Description:Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2542QV6PubMed
TargetTrace amine-associated receptor 1(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM10758(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)copy SMILEScopy InChI
Affinity DataEC50:  15nMAssay Description:Agonist activity at recombinant human TAAR1 expressed in CHO-K1 cells assessed as increase in intracellular cAMP incubated for 30 mins by HTRF analys...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25X2DSHPubMed
TargetTrace amine-associated receptor 1(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM10758(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)copy SMILEScopy InChI
Affinity DataEC50:  106nMAssay Description:Activation of human TAAR1 expressed in Syrian hamster AV12-664 cells co-expressing GalphaS protein assessed as accumulation of cAMP after 30 mins usi...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765FR0PubMed
TargetTrace amine-associated receptor 1(Rattus norvegicus (Rat))
Oregon Health & Science University

Curated by ChEMBL
LigandPNGBDBM10758(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)copy SMILEScopy InChI
Affinity DataEC50:  209nMAssay Description:Activation of rat TAAR1 expressed in Syrian hamster AV12-664 cells assessed as accumulation of cAMP after 30 mins using cAMP XS EA/CL as substrate by...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765FR0PubMed
TargetTrace amine-associated receptor 1(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM10758(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)copy SMILEScopy InChI
Affinity DataEC50:  129nMAssay Description:Agonist activity at human trace amine associated receptor 1 expressed in RD-HGA16 CHO-K1 cells coexpressed with Galpha16 protein assessed as internal...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DR2V92PubMed
TargetTrace amine-associated receptor 1(Mus musculus (Mouse))
Oregon Health & Science University

Curated by ChEMBL
LigandPNGBDBM10758(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)copy SMILEScopy InChI
Affinity DataEC50:  138nMAssay Description:Agonist activity at mouse TAAR1 expressed in HEK293 cells coexpressing cAMP BRET biosensor assessed as induction of CAMP production after 20 mins by ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PC3446PubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM10758(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)copy SMILEScopy InChI
Affinity DataIC50: 4.41E+3nMAssay Description:Inhibitory concentration against human cytochrome P450 2A6More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20C4WJVPubMed
TargetCytochrome P450 2A5(Mus musculus)
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM10758(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibitory concentration against mouse cytochrome P450 2A5More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20C4WJVPubMed