Ki Summary

Reaction Details

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Target

Serine/threonine-protein kinase PAK 1

Ligand

BDBM50148921

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1584620 (CHEMBL3820948)

3.7±n/a nM

Citation

Rudolph, J; Murray, LJ; Ndubaku, CO; O'Brien, T; Blackwood, E; Wang, W; Aliagas, I; Gazzard, L; Crawford, JJ; Drobnick, J; Lee, W; Zhao, X; Hoeflich, KP; Favor, DA; Dong, P; Zhang, H; Heise, CE; Oh, A; Ong, CC; La, H; Chakravarty, P; Chan, C; Jakubiak, D; Epler, J; Ramaswamy, S; Vega, R; Cain, G; Diaz, D; Zhong, Y Chemically Diverse Group I p21-Activated Kinase (PAK) Inhibitors Impart Acute Cardiovascular Toxicity with a Narrow Therapeutic Window. J Med Chem59:5520-41 (2016) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Serine/threonine-protein kinase PAK 1

Name:

Serine/threonine-protein kinase PAK 1

Synonyms:

Type:

n/a

Mol. Mass.:

60640.15

Organism:

Homo sapiens (Human)

Description:

Q13153

Residue:

545

Sequence:

MSNNGLDIQDKPPAPPMRNTSTMIGAGSKDAGTLNHGSKPLPPNPEEKKKKDRFYRSILP
GDKTNKKKEKERPEISLPSDFEHTIHVGFDAVTGEFTGMPEQWARLLQTSNITKSEQKKN
PQAVLDVLEFYNSKKTSNSQKYMSFTDKSAEDYNSSNALNVKAVSETPAVPPVSEDEDDD
DDDATPPPVIAPRPEHTKSVYTRSVIEPLPVTPTRDVATSPISPTENNTTPPDALTRNTE
KQKKKPKMSDEEILEKLRSIVSVGDPKKKYTRFEKIGQGASGTVYTAMDVATGQEVAIKQ
MNLQQQPKKELIINEILVMRENKNPNIVNYLDSYLVGDELWVVMEYLAGGSLTDVVTETC
MDEGQIAAVCRECLQALEFLHSNQVIHRDIKSDNILLGMDGSVKLTDFGFCAQITPEQSK
RSTMVGTPYWMAPEVVTRKAYGPKVDIWSLGIMAIEMIEGEPPYLNENPLRALYLIATNG
TPELQNPEKLSAIFRDFLNRCLEMDVEKRGSAKELLQHQFLKIAKPLSSLTPLIAAAKEA
TKNNH

BDBM50148921

n/a

Name

BDBM50148921

Synonyms:

CHEMBL3770443

Type

Small organic molecule

Emp. Form.

C25H25ClN6O3

Mol. Mass.

492.957

SMILES

CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:26.27,wD:29.31,(-5.08,.92,;-4.02,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;4,-1.54,;3.99,-3.08,;5.33,-3.85,;6.66,-3.08,;6.66,-1.54,;5.33,-.77,;5.33,.46,;7.99,-3.86,;9.33,-3.09,;10.66,-3.86,;10.66,-5.4,;9.32,-6.17,;9.32,-7.4,;7.99,-5.4,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;2.67,3.85,;2.68,5.39,;4.01,6.15,;5.34,5.38,;6.41,5.99,;5.34,3.84,;4,3.07,;,.77,;-1.33,1.54,)|

Structure