Ki Summary

Reaction Details

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Target

Adenosine receptor A2b

Ligand

BDBM50341189

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_740586 (CHEMBL1764849)

IC50

13±n/a nM

Citation

Firooznia, F; Cheung, AW; Brinkman, J; Grimsby, J; Gubler, ML; Hamid, R; Marcopulos, N; Ramsey, G; Tan, J; Wen, Y; Sarabu, R Discovery of benzothiazole-based adenosine A2B receptor antagonists with improved A2A selectivity. Bioorg Med Chem Lett21:1933-6 (2011) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Adenosine receptor A2b

Name:

Adenosine receptor A2b

Synonyms:

Type:

G Protein-Coupled Receptor (GPCR)

Mol. Mass.:

36341.22

Organism:

Homo sapiens (Human)

Description:

n/a

Residue:

332

Sequence:

MLLETQDALYVALELVIAALSVAGNVLVCAAVGTANTLQTPTNYFLVSLAAADVAVGLFA
IPFAITISLGFCTDFYGCLFLACFVLVLTQSSIFSLLAVAVDRYLAICVPLRYKSLVTGT
RARGVIAVLWVLAFGIGLTPFLGWNSKDSATNNCTEPWDGTTNESCCLVKCLFENVVPMS
YMVYFNFFGCVLPPLLIMLVIYIKIFLVACRQLQRTELMDHSRTTLQREIHAAKSLAMIV
GIFALCWLPVHAVNCVTLFQPAQGKNKPKWAMNMAILLSHANSVVNPIVYAYRNRDFRYT
FHKIISRYLLCQADVKSGNGQAGVQPALGVGL

BDBM50341189

n/a

Name

BDBM50341189

Synonyms:

CHEMBL1760896 | trans-N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-yl)-4-(3-(trifluoromethyl)phenylsulfonamido)cyclohexanecarboxamide

Type

Small organic molecule

Emp. Form.

C26H29F3N4O5S2

Mol. Mass.

598.657

SMILES

CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3cccc(c3)C(F)(F)F)sc12 |r,wU:18.17,wD:21.24,(10.57,-46.93,;10.57,-45.39,;11.9,-44.62,;13.23,-45.39,;14.57,-44.62,;13.24,-46.93,;11.9,-43.08,;10.57,-42.31,;10.57,-40.76,;11.9,-39.99,;11.89,-38.45,;13.22,-37.68,;13.23,-40.76,;14.71,-40.28,;15.62,-41.53,;17.16,-41.53,;17.93,-40.2,;17.16,-38.86,;19.46,-40.19,;20.23,-38.85,;21.77,-38.86,;22.54,-40.2,;21.76,-41.53,;20.23,-41.52,;24.08,-40.2,;24.85,-41.54,;23.5,-42.3,;24.83,-43.07,;26.38,-41.53,;27.14,-42.85,;28.67,-42.85,;29.43,-41.52,;28.65,-40.19,;27.12,-40.21,;29.41,-38.86,;30.95,-38.84,;28.63,-37.53,;30.17,-37.51,;14.71,-42.78,;13.23,-42.31,)|

Structure