Reaction Details Report a problem with these data
Target
LIM domain kinase 1
Ligand
BDBM50299584
Substrate
n/a
Meas. Tech.
ChEMBL_592394 (CHEMBL1036967)
IC50
3.7±n/a nM
Citation
 Harrison, BA; Whitlock, NA; Voronkov, MV; Almstead, ZY; Gu, KJ; Mabon, R; Gardyan, M; Hamman, BD; Allen, J; Gopinathan, S; McKnight, B; Crist, M; Zhang, Y; Liu, Y; Courtney, LF; Key, B; Zhou, J; Patel, N; Yates, PW; Liu, Q; Wilson, AG; Kimball, SD; Crosson, CE; Rice, DS; Rawlins, DB Novel class of LIM-kinase 2 inhibitors for the treatment of ocular hypertension and associated glaucoma. J Med Chem 52:6515-8 (2009) [PubMed]  Article 
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:
BDBM50299584
Synonyms:
(S)-N-(3-bromo-4-fluorophenyl)-N'-cyano-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboximidamide | CHEMBL565452
Type:
Small organic molecule
Emp. Form.:
C20H20BrFN8
Mol. Mass.:
471.329
SMILES:
C[C@H]1CN(CCN1C(NC#N)=Nc1ccc(F)c(Br)c1)c1ncnc2[nH]cc(C)c12 |r,w:11.12|
Structure:
Search PDB for entries with ligand similarity: