Ki Summary

Reaction Details

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Target

Trace amine-associated receptor 1

Ligand

BDBM96902

Substrate/Competitor

n/a

EC50

>29913±n/a nM

Citation

PubChem, PC Counterscreen for antagonists of the human trace amine associated receptor 1 (hTAAR1): Fluorescence-based cell-based high throughput dose response assay to identify TAAR1 Agonists PubChem Bioassay(2013)[AID]

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Trace amine-associated receptor 1

Name:

Trace amine-associated receptor 1

Synonyms:

Type:

PROTEIN

Mol. Mass.:

39107.47

Organism:

Homo sapiens (Human)

Description:

ChEMBL_792734

Residue:

339

Sequence:

MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNW
LIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISID
RYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRG
GCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNG
ISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFN
PMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS

BDBM96902

n/a

Name

BDBM96902

Synonyms:

(E)-2-Cyano-3-[1-(2-fluoro-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-thiophen-2-ylmethyl-acrylamide | (E)-2-cyano-3-[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-N-(thiophen-2-ylmethyl)-2-propenamide | (E)-2-cyano-3-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-N-(2-thenyl)acrylamide | (E)-2-cyano-3-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide | (E)-2-cyano-3-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide | MLS000556235 | SMR000147552 | cid_1405179

Type

Small organic molecule

Emp. Form.

C21H18FN3OS

Mol. Mass.

379.451

SMILES

Cc1cc(\C=C(/C#N)C(=O)NCc2cccs2)c(C)n1-c1ccccc1F |(3.08,-3.66,;4.54,-3.19,;5.02,-1.72,;6.56,-1.72,;7.47,-.48,;6.84,.93,;5.31,1.09,;3.78,1.25,;7.74,2.18,;9.28,2.01,;7.12,3.58,;8.02,4.83,;7.4,6.24,;8.17,7.57,;7.14,8.71,;5.73,8.09,;5.89,6.56,;7.04,-3.19,;8.5,-3.66,;5.79,-4.09,;5.79,-5.63,;7.12,-6.4,;7.12,-7.94,;5.79,-8.71,;4.46,-7.94,;4.46,-6.4,;3.12,-5.63,)|

Structure