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Target
LIM domain kinase 1
Ligand
BDBM50390791
Substrate
n/a
Meas. Tech.
ChEMBL_2199836 (CHEMBL5112352)
IC50
355±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 Chem 65:13705-13713 (2022) [PubMed] 
Target
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:
MRLTLLCCTWREERMGEEGSELPVCASCGQRIYDGQYLQALNADWHADCFRCCDCSASLSHQYYEKDGQLFCKKDYWARYGESCHGCSEQITKGLVMVAGELKYHPECFICLTCGTFIGDGDTYTLVEHSKLYCGHCYYQTVVTPVIEQILPDSPGSHLPHTVTLVSIPASSHGKRGLSVSIDPPHGPPGCGTEHSHTVRVQGVDPGCMSPDVKNSIHVGDRILEINGTPIRNVPLDEIDLLIQETSRLLQLTLEHDPHDTLGHGLGPETSPLSSPAYTPSGEAGSSARQKPVLRSCSIDRSPGAGSLGSPASQRKDLGRSESLRVVCRPHRIFRPSDLIHGEVLGKGCFGQAIKVTHRETGEVMVMKELIRFDEETQRTFLKEVKVMRCLEHPNVLKFIGVLYKDKRLNFITEYIKGGTLRGIIKSMDSQYPWSQRVSFAKDIASGMAYLHSMNIIHRDLNSHNCLVRENKNVVVADFGLARLMVDEKTQPEGLRSLKKPDRKKRYTVVGNPYWMAPEMINGRSYDEKVDVFSFGIVLCEIIGRVNADPDYLPRTMDFGLNVRGFLDRYCPPNCPPSFFPITVRCCDLDPEKRPSFVKLEHWLETLRMHLAGHLPLGPQLEQLDRGFWETYRRGESGLPAHPEVPD
  
Inhibitor
Name:
BDBM50390791
Synonyms:
CHEMBL2070615
Type:
Small organic molecule
Emp. Form.:
C23H23N7O2S
Mol. Mass.:
461.539
SMILES:
CCNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C
Structure:
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