Ki Summary

Reaction Details

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Target

Serine/threonine-protein kinase PAK 1

Ligand

BDBM50096229

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1505869 (CHEMBL3595326)

37±n/a nM

Citation

Rudolph, J; Aliagas, I; Crawford, JJ; Mathieu, S; Lee, W; Chao, Q; Dong, P; Rouge, L; Wang, W; Heise, C; Murray, LJ; La, H; Liu, Y; Manning, G; Diederich, F; Hoeflich, KP Leveraging the Pre-DFG Residue Thr-406 To Obtain High Kinase Selectivity in an Aminopyrazole-Type PAK1 Inhibitor Series. ACS Med Chem Lett6:711-5 (2015) [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

BDBM50096229

n/a

Name

BDBM50096229

Synonyms:

CHEMBL3594177

Type

Small organic molecule

Emp. Form.

C20H30N8O

Mol. Mass.

398.5052

SMILES

CN(C[C@H]1CC[C@H](N)CC1)c1nccc(Nc2cc([nH]n2)[C@H]2CCN(C)C2=O)n1 |r,wU:3.2,21.22,wD:6.6,(-2.67,2.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;0,-3.08,;1.34,-3.85,;1.49,-5.37,;2.99,-5.68,;3.76,-4.35,;2.72,-3.21,;3.62,-7.09,;5.14,-7.26,;5.43,-8.77,;4.08,-9.51,;3.92,-10.74,;2.96,-8.46,;1.74,-8.68,;-1.33,-.77,)|

Structure