Reaction Details Report a problem with these data
Target
Kinesin-like protein KIF11
Ligand
BDBM50220970
Substrate
n/a
Meas. Tech.
ChEMBL_457441 (CHEMBL941013)
IC50
1±n/a nM
Citation
Garbaccio, RM; Tasber, ES; Neilson, LA; Coleman, PJ; Fraley, ME; Olson, C; Bergman, J; Torrent, M; Buser, CA; Rickert, K; Walsh, ES; Hamilton, K; Lobell, RB; Tao, W; South, VJ; Diehl, RE; Davide, JP; Yan, Y; Kuo, LC; Li, C; Prueksaritanont, T; Fernandez-Metzler, C; Mahan, EA; Slaughter, DE; Salata, JJ; Kohl, NE; Huber, HE; Hartman, GD Kinesin spindle protein (KSP) inhibitors. Part 7: Design and synthesis of 3,3-disubstituted dihydropyrazolobenzoxazines as potent inhibitors of the mitotic kinesin KSP. Bioorg Med Chem Lett 17:5671-6 (2007) [PubMed] Article
More Info.:
Target
Name:
Kinesin-like protein KIF11
Synonyms:
EG5 | KIF11 | KIF11_HUMAN | KNSL1 | Kinesin Spindle Protein Eg5 | Kinesin-like protein 1 | TRIP5 | kinesin spindle protein
Type:
PROTEIN
Mol. Mass.:
119138.97
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1457426
Residue:
1056
Sequence:
MASQPNSSAKKKEEKGKNIQVVVRCRPFNLAERKASAHSIVECDPVRKEVSVRTGGLADKSSRKTYTFDMVFGASTKQIDVYRSVVCPILDEVIMGYNCTIFAYGQTGTGKTFTMEGERSPNEEYTWEEDPLAGIIPRTLHQIFEKLTDNGTEFSVKVSLLEIYNEELFDLLNPSSDVSERLQMFDDPRNKRGVIIKGLEEITVHNKDEVYQILEKGAAKRTTAATLMNAYSSRSHSVFSVTIHMKETTIDGEELVKIGKLNLVDLAGSENIGRSGAVDKRAREAGNINQSLLTLGRVITALVERTPHVPYRESKLTRILQDSLGGRTRTSIIATISPASLNLEETLSTLEYAHRAKNILNKPEVNQKLTKKALIKEYTEEIERLKRDLAAAREKNGVYISEENFRVMSGKLTVQEEQIVELIEKIGAVEEELNRVTELFMDNKNELDQCKSDLQNKTQELETTQKHLQETKLQLVKEEYITSALESTEEKLHDAASKLLNTVEETTKDVSGLHSKLDRKKAVDQHNAEAQDIFGKNLNSLFNNMEELIKDGSSKQKAMLEVHKTLFGNLLSSSVSALDTITTVALGSLTSIPENVSTHVSQIFNMILKEQSLAAESKTVLQELINVLKTDLLSSLEMILSPTVVSILKINSQLKHIFKTSLTVADKIEDQKKELDGFLSILCNNLHELQENTICSLVESQKQCGNLTEDLKTIKQTHSQELCKLMNLWTERFCALEEKCENIQKPLSSVQENIQQKSKDIVNKMTFHSQKFCADSDGFSQELRNFNQEGTKLVEESVKHSDKLNGNLEKISQETEQRCESLNTRTVYFSEQWVSSLNEREQELHNLLEVVSQCCEASSSDITEKSDGRKAAHEKQHNIFLDQMTIDEDKLIAQNLELNETIKIGLTKLNCFLEQDLKLDIPTGTTPQRKSYLYPSTLVRTEPREHLLDQLKRKQPELLMMLNCSENNKEETIPDVDVEEAVLGQYTEEPLSQEPSVDAGVDCSSIGGVPFFQHKKSHGKDKENRGINTLERSKVEETTEHLVTKSRLPLRAQINL
Inhibitor
Name:
BDBM50220970
Synonyms:
1-[(3R,3aR)-8-methyl-3-(3-morpholin-4-yl-propyl)-3-phenyl-3a,4-dihydro-3H-5-oxa-1,9b-diaza-cyclopenta[a]naphthalen-2-yl]-ethanone | CHEMBL399378
Type:
Small organic molecule
Emp. Form.:
C26H31N3O3
Mol. Mass.:
433.5426
SMILES:
CC(=O)C1=NN2[C@@H](COc3ccc(C)cc23)[C@@]1(CCCN1CCOCC1)c1ccccc1 |t:3|