Ki Summary

Reaction Details

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Target

Aldo-keto reductase family 1 member B1

Ligand

BDBM50188301

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_873098 (CHEMBL2182574)

IC50

150±n/a nM

Citation

Pettipher, R; Whittaker, M Update on the development of antagonists of chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2). From lead optimization to clinical proof-of-concept in asthma and allergic rhinitis. J Med Chem55:2915-31 (2012) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Aldo-keto reductase family 1 member B1

Name:

Aldo-keto reductase family 1 member B1

Synonyms:

ALDR_RAT | Akr1b1 | Akr1b4 | Aldose reductase | Aldr1

Type:

PROTEIN

Mol. Mass.:

35797.87

Organism:

Rattus norvegicus

Description:

ChEMBL_1512484

Residue:

316

Sequence:

MASHLELNNGTKMPTLGLGTWKSPPGQVTEAVKVAIDMGYRHIDCAQVYQNEKEVGVALQ
EKLKEQVVKRQDLFIVSKLWCTFHDQSMVKGACQKTLSDLQLDYLDLYLIHWPTGFKPGP
DYFPLDASGNVIPSDTDFVDTWTAMEQLVDEGLVKAIGVSNFNPLQIERILNKPGLKYKP
AVNQIECHPYLTQEKLIEYCHCKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKEIAAK
YNKTTAQVLIRFPIQRNLVVIPKSVTPARIAENFKVFDFELSNEDMATLLSYNRNWRVCA
LMSCAKHKDYPFHAEV

BDBM50188301

n/a

Name

BDBM50188301

Synonyms:

2-(2,5-dimethyl-3-(8-methylquinolin-4-yl)-1H-indol-1-yl)acetic acid | CHEMBL209689

Type

Small organic molecule

Emp. Form.

C22H20N2O2

Mol. Mass.

344.4064

SMILES

Cc1c(-c2ccnc3c(C)cccc23)c2cc(C)ccc2n1CC(O)=O |(-2.12,-2.68,;-3.66,-2.69,;-4.56,-3.95,;-4.08,-5.41,;-2.58,-5.71,;-2.09,-7.17,;-3.11,-8.33,;-4.62,-8.02,;-5.63,-9.15,;-5.14,-10.61,;-7.13,-8.85,;-7.62,-7.39,;-6.6,-6.25,;-5.1,-6.56,;-6.04,-3.48,;-7.38,-4.24,;-8.72,-3.47,;-10.05,-4.24,;-8.71,-1.93,;-7.38,-1.16,;-6.05,-1.92,;-4.57,-1.44,;-4.1,.03,;-2.6,.35,;-1.56,-.78,;-2.12,1.82,)|

Structure