Reaction Details Report a problem with these data
Target
LIM domain kinase 1
Ligand
BDBM50072703
Substrate
n/a
Meas. Tech.
ChEMBL_1467101 (CHEMBL3411298)
IC50
75±n/a nM
Citation
 Yin, Y; Zheng, K; Eid, N; Howard, S; Jeong, JH; Yi, F; Guo, J; Park, CM; Bibian, M; Wu, W; Hernandez, P; Park, H; Wu, Y; Luo, JL; LoGrasso, PV; Feng, Y Bis-aryl urea derivatives as potent and selective LIM kinase (Limk) inhibitors. J Med Chem 58:1846-61 (2015) [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:
BDBM50072703
Synonyms:
CHEMBL3410031
Type:
Small organic molecule
Emp. Form.:
C21H19N5O2
Mol. Mass.:
373.4079
SMILES:
COc1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]cc(C)c23)c1
Structure:
Search PDB for entries with ligand similarity: