Ki Summary

Reaction Details

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Target

Adenosine receptor A1

Ligand

BDBM50341190

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_740587 (CHEMBL1764850)

7±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 A1

Name:

Adenosine receptor A1

Synonyms:

Type:

G Protein-Coupled Receptor (GPCR)

Mol. Mass.:

36520.92

Organism:

Homo sapiens (Human)

Description:

P30542

Residue:

326

Sequence:

MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGA
LVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVT
PRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYM
VYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALIL
FLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFL
KIWNDHFRCQPAPPIDEDLPEERPDD

BDBM50341190

n/a

Name

BDBM50341190

Synonyms:

CHEMBL1760895 | trans-N-(4-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-ylcarbamoyl)cyclohexyl)-3-(trifluoromethyl)benzamide

Type

Small organic molecule

Emp. Form.

C27H29F3N4O4S

Mol. Mass.

562.604

SMILES

CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](CC3)NC(=O)c3cccc(c3)C(F)(F)F)sc12 |r,wU:18.17,wD:21.24,(-11.53,-48.22,;-11.53,-46.68,;-10.19,-45.91,;-8.85,-46.68,;-7.52,-45.91,;-8.85,-48.22,;-10.19,-44.37,;-11.53,-43.6,;-11.53,-42.05,;-10.19,-41.28,;-10.2,-39.74,;-8.87,-38.97,;-8.86,-42.05,;-7.38,-41.57,;-6.47,-42.82,;-4.93,-42.82,;-4.16,-41.49,;-4.93,-40.15,;-2.63,-41.48,;-1.86,-40.14,;-.32,-40.15,;.45,-41.49,;-.32,-42.82,;-1.86,-42.82,;1.99,-41.49,;2.76,-42.83,;1.99,-44.16,;4.29,-42.82,;5.05,-44.15,;6.58,-44.14,;7.34,-42.81,;6.56,-41.49,;5.03,-41.5,;7.32,-40.15,;8.86,-40.14,;6.54,-38.82,;8.08,-38.8,;-7.38,-44.08,;-8.86,-43.6,)|

Structure