Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase PAK 5
Ligand
BDBM13533
Substrate
n/a
Meas. Tech.
ChEMBL_793935 (CHEMBL1931527)
IC50
>30000±n/a nM
Citation
 Moffett, K; Konteatis, Z; Nguyen, D; Shetty, R; Ludington, J; Fujimoto, T; Lee, KJ; Chai, X; Namboodiri, H; Karpusas, M; Dorsey, B; Guarnieri, F; Bukhtiyarova, M; Springman, E; Michelotti, E Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD). Bioorg Med Chem Lett 21:7155-65 (2011) [PubMed]  Article 
Target
Name:
Serine/threonine-protein kinase PAK 5
Synonyms:
KIAA1264 | PAK5 | PAK5_HUMAN | PAK7 | PAK7/PAK5 | Protein Kinase PAK5 | Serine/threonine-protein kinase (PAK7) | Serine/threonine-protein kinase PAK 5 | Serine/threonine-protein kinase PAK7
Type:
Protein
Mol. Mass.:
80760.58
Organism:
Homo sapiens (Human)
Description:
Q9P286
Residue:
719
Sequence:
MFGKKKKKIEISGPSNFEHRVHTGFDPQEQKFTGLPQQWHSLLADTANRPKPMVDPSCITPIQLAPMKTIVRGNKPCKETSINGLLEDFDNISVTRSNSLRKESPPTPDQGASSHGPGHAEENGFITFSQYSSESDTTADYTTEKYREKSLYGDDLDPYYRGSHAAKQNGHVMKMKHGEAYYSEVKPLKSDFARFSADYHSHLDSLSKPSEYSDLKWEYQRASSSSPLDYSFQFTPSRTAGTSGCSKESLAYSESEWGPSLDDYDRRPKSSYLNQTSPQPTMRQRSRSGSGLQEPMMPFGASAFKTHPQGHSYNSYTYPRLSEPTMCIPKVDYDRAQMVLSPPLSGSDTYPRGPAKLPQSQSKSGYSSSSHQYPSGYHKATLYHHPSLQSSSQYISTASYLSSLSLSSSTYPPPSWGSSSDQQPSRVSHEQFRAALQLVVSPGDPREYLANFIKIGEGSTGIVCIATEKHTGKQVAVKKMDLRKQQRRELLFNEVVIMRDYHHDNVVDMYSSYLVGDELWVVMEFLEGGALTDIVTHTRMNEEQIATVCLSVLRALSYLHNQGVIHRDIKSDSILLTSDGRIKLSDFGFCAQVSKEVPKRKSLVGTPYWMAPEVISRLPYGTEVDIWSLGIMVIEMIDGEPPYFNEPPLQAMRRIRDSLPPRVKDLHKVSSVLRGFLDLMLVREPSQRATAQELLGHPFLKLAGPPSCIVPLMRQYRHH
  
Inhibitor
Name:
BDBM13533
Synonyms:
1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea | 1-[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]-3-[4-[2-(4-morpholinyl)ethoxy]-1-naphthalenyl]urea | 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea | 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[4-(2-morpholinoethoxy)-1-naphthyl]urea | 3-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea | 3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea | BIRB 796 | BIRB-796 | BIRB-796, 3 | CHEMBL103667 | D3RKN_73 | Doramapimod | US11407771, Compound 43 | US8933228, BIRB 796 | US9187470, 43 (BIRB-796) | US9242960, BIRB 796 | US9260410, BIRB796 | cid_156422 | diaryl urea compound 10
Type:
Small organic molecule
Emp. Form.:
C31H37N5O3
Mol. Mass.:
527.6572
SMILES:
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Structure:
Search PDB for entries with ligand similarity: