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SMILES: NCCc1ccc(Oc2ccc(O)cc2)c(I)c1

InChI Key: InChIKey=XIINYOJWNGOUPF-UHFFFAOYSA-N

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 5 hits for monomerid = 50359505   
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
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM50359505
PNG
(CHEMBL1182312)
Show SMILES NCCc1ccc(Oc2ccc(O)cc2)c(I)c1
Show InChI InChI=1S/C14H14INO2/c15-13-9-10(7-8-16)1-6-14(13)18-12-4-2-11(17)3-5-12/h1-6,9,17H,7-8,16H2
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Article
PubMed
n/an/an/an/a 189n/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR1 expressed in HEK293 cells coexpressing cAMP BRET biosensor assessed as induction of CAMP production after 20 mins by ...


J Med Chem 58: 5096-107 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00526
BindingDB Entry DOI: 10.7270/Q2PC3446
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM50359505
PNG
(CHEMBL1182312)
Show SMILES NCCc1ccc(Oc2ccc(O)cc2)c(I)c1
Show InChI InChI=1S/C14H14INO2/c15-13-9-10(7-8-16)1-6-14(13)18-12-4-2-11(17)3-5-12/h1-6,9,17H,7-8,16H2
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Article
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n/an/an/an/a 22.4n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay 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...


Bioorg Med Chem 19: 7044-8 (2011)


Article DOI: 10.1016/j.bmc.2011.10.007
BindingDB Entry DOI: 10.7270/Q2765FR0
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM50359505
PNG
(CHEMBL1182312)
Show SMILES NCCc1ccc(Oc2ccc(O)cc2)c(I)c1
Show InChI InChI=1S/C14H14INO2/c15-13-9-10(7-8-16)1-6-14(13)18-12-4-2-11(17)3-5-12/h1-6,9,17H,7-8,16H2
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n/an/an/an/a 189n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50359505
PNG
(CHEMBL1182312)
Show SMILES NCCc1ccc(Oc2ccc(O)cc2)c(I)c1
Show InChI InChI=1S/C14H14INO2/c15-13-9-10(7-8-16)1-6-14(13)18-12-4-2-11(17)3-5-12/h1-6,9,17H,7-8,16H2
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PubMed
n/an/an/an/a 1.69E+3n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal HA-tagged/C-terminal FLAG-tagged TAAR1 expressed in CHOK1 cells assessed as increase in cAMP a...


Eur J Med Chem 127: 781-792 (2017)


BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50359505
PNG
(CHEMBL1182312)
Show SMILES NCCc1ccc(Oc2ccc(O)cc2)c(I)c1
Show InChI InChI=1S/C14H14INO2/c15-13-9-10(7-8-16)1-6-14(13)18-12-4-2-11(17)3-5-12/h1-6,9,17H,7-8,16H2
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Article
PubMed
n/an/an/an/a 1.51E+3n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay 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...


Bioorg Med Chem 19: 7044-8 (2011)


Article DOI: 10.1016/j.bmc.2011.10.007
BindingDB Entry DOI: 10.7270/Q2765FR0
More data for this
Ligand-Target Pair