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BDBM96743 4-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine;hydrochloride::4-methyl-1,2,3,4-tetrahydro[1]benzofuro[3,2-c]pyridine::4-methyl-1,2,3,4-tetrahydrobenzofuro[3,2-c]pyridine;hydrochloride::MLS001180715::SMR000476894::cid_12499516

SMILES: CC1CNCc2c1oc1ccccc21

InChI Key: InChIKey=XIQGIXNRHOALAD-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 = 96743   
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))
BDBM96743
PNG
(4-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyr...)
Show SMILES CC1CNCc2c1oc1ccccc21
Show InChI InChI=1S/C12H13NO/c1-8-6-13-7-10-9-4-2-3-5-11(9)14-12(8)10/h2-5,8,13H,6-7H2,1H3
UniProtKB/SwissProt
UniProtKB/TrEMBL

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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))
BDBM96743
PNG
(4-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyr...)
Show SMILES CC1CNCc2c1oc1ccccc21
Show InChI InChI=1S/C12H13NO/c1-8-6-13-7-10-9-4-2-3-5-11(9)14-12(8)10/h2-5,8,13H,6-7H2,1H3
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
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))
BDBM96743
PNG
(4-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyr...)
Show SMILES CC1CNCc2c1oc1ccccc21
Show InChI InChI=1S/C12H13NO/c1-8-6-13-7-10-9-4-2-3-5-11(9)14-12(8)10/h2-5,8,13H,6-7H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 190n/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))
BDBM96743
PNG
(4-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyr...)
Show SMILES CC1CNCc2c1oc1ccccc21
Show InChI InChI=1S/C12H13NO/c1-8-6-13-7-10-9-4-2-3-5-11(9)14-12(8)10/h2-5,8,13H,6-7H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 133n/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