Ki Summary

Reaction Details

Report a problem with these data

Target

LIM domain kinase 1

Ligand

BDBM50591311

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2199836 (CHEMBL5112352)

IC50

81±n/a nM

Citation

Collins, R; Lee, H; Jones, DH; Elkins, JM; Gillespie, JA; Thomas, C; Baldwin, AG; Jones, K; Waters, L; Paine, M; Atack, JR; Ward, SE; Grubisha, O; Foley, DW Comparative Analysis of Small-Molecule LIMK1/2 Inhibitors: Chemical Synthesis, Biochemistry, and Cellular Activity. J Med Chem65:13705-13713 (2022) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

LIM domain kinase 1

Name:

LIM domain kinase 1

Synonyms:

LIMK | LIMK-1 | LIMK1 | LIMK1_HUMAN

Type:

Enzyme Catalytic Domain

Mol. Mass.:

72591.81

Organism:

Homo sapiens (Human)

Description:

gi_4505001

Residue:

647

Sequence:

MRLTLLCCTWREERMGEEGSELPVCASCGQRIYDGQYLQALNADWHADCFRCCDCSASLS
HQYYEKDGQLFCKKDYWARYGESCHGCSEQITKGLVMVAGELKYHPECFICLTCGTFIGD
GDTYTLVEHSKLYCGHCYYQTVVTPVIEQILPDSPGSHLPHTVTLVSIPASSHGKRGLSV
SIDPPHGPPGCGTEHSHTVRVQGVDPGCMSPDVKNSIHVGDRILEINGTPIRNVPLDEID
LLIQETSRLLQLTLEHDPHDTLGHGLGPETSPLSSPAYTPSGEAGSSARQKPVLRSCSID
RSPGAGSLGSPASQRKDLGRSESLRVVCRPHRIFRPSDLIHGEVLGKGCFGQAIKVTHRE
TGEVMVMKELIRFDEETQRTFLKEVKVMRCLEHPNVLKFIGVLYKDKRLNFITEYIKGGT
LRGIIKSMDSQYPWSQRVSFAKDIASGMAYLHSMNIIHRDLNSHNCLVRENKNVVVADFG
LARLMVDEKTQPEGLRSLKKPDRKKRYTVVGNPYWMAPEMINGRSYDEKVDVFSFGIVLC
EIIGRVNADPDYLPRTMDFGLNVRGFLDRYCPPNCPPSFFPITVRCCDLDPEKRPSFVKL
EHWLETLRMHLAGHLPLGPQLEQLDRGFWETYRRGESGLPAHPEVPD

BDBM50591311

n/a

Name

BDBM50591311

Synonyms:

CHEMBL3182065

Type

Small organic molecule

Emp. Form.

C17H12Cl2F2N4OS

Mol. Mass.

429.271

SMILES

FC(F)c1cc(-c2cnc(NC(=O)C3CC3)s2)n(n1)-c1c(Cl)cccc1Cl |(6.16,-4.92,;4.94,-4.79,;4.22,-5.79,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;5.82,1.09,;5.78,2.63,;4.3,3.07,;3.79,4.52,;4.79,5.69,;6,5.46,;4.28,7.14,;4.59,8.57,;3.14,8.05,;3.43,1.8,;2.67,-1.54,;2.81,-3.06,;1.33,-.77,;1.33,.77,;2.4,1.39,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;,-2.77,)|

Structure