Ki Summary

Reaction Details

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Target

Serine/threonine-protein kinase PAK 1

Ligand

BDBM50097132

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1499560 (CHEMBL3584418)

IC50

2200±n/a nM

Citation

Crawford, JJ; Lee, W; Aliagas, I; Mathieu, S; Hoeflich, KP; Zhou, W; Wang, W; Rouge, L; Murray, L; La, H; Liu, N; Fan, PW; Cheong, J; Heise, CE; Ramaswamy, S; Mintzer, R; Liu, Y; Chao, Q; Rudolph, J Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors. J Med Chem58:5121-36 (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

BDBM50097132

n/a

Name

BDBM50097132

Synonyms:

CHEMBL3580962

Type

Small organic molecule

Emp. Form.

C17H25N7

Mol. Mass.

327.4273

SMILES

N[C@H]1CC[C@H](CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)CC1 |r,wU:4.4,wD:1.0,(-1.34,-9.7,;-1.34,-8.47,;-.01,-7.7,;-.01,-6.16,;-1.34,-5.39,;-1.34,-3.85,;-0,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,3.08,;-3.91,3.97,;-3.43,5.43,;-1.89,5.43,;-1.42,3.96,;-4.33,6.68,;-5.62,7.36,;-4.29,8.14,;-1.33,-.77,;-2.68,-6.16,;-2.68,-7.7,)|

Structure