Ki Summary

Reaction Details

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Target

Cyclin-dependent kinase 2

Ligand

BDBM15244

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_817832 (CHEMBL2027480)

IC50

>5000±n/a nM

Citation

Duffy, JP; Harrington, EM; Salituro, FG; Cochran, JE; Green, J; Gao, H; Bemis, GW; Evindar, G; Galullo, VP; Ford, PJ; Germann, UA; Wilson, KP; Bellon, SF; Chen, G; Taslimi, P; Jones, P; Huang, C; Pazhanisamy, S; Wang, YM; Murcko, MA; Su, MS The Discovery of VX-745: A Novel and Selective p38a Kinase Inhibitor. ACS Med Chem Lett2:758-763 (2011) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Cyclin-dependent kinase 2

Name:

Cyclin-dependent kinase 2

Synonyms:

Type:

Enzyme Subunit

Mol. Mass.:

33938.17

Organism:

Homo sapiens (Human)

Description:

P24941

Residue:

298

Sequence:

MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNH
PNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHS
HRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYY
STAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSF
PKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL

BDBM15244

n/a

Name

BDBM15244

Synonyms:

5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpyrimido[1,6-b]pyridazin-6-one | 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-a]pyridazin-6-one | 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)thio]-6-pyrimido[1,6-b]pyridazinone | 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)thio]pyrimido[1,6-b]pyridazin-6-one | 5-(2,6-dichlorophenyl)-9-(2,4-difluorophenyl)sulfanyl-1,3,10-triazabicyclo[4.4.0]deca-2,5,7,9-tetraen-4-one | 5-[2,6-bis(chloranyl)phenyl]-2-[2,4-bis(fluoranyl)phenyl]sulfanyl-pyrimido[1,6-b]pyridazin-6-one | VX-745 | VX745 | cid_3038525

Type

Small organic molecule

Emp. Form.

C19H9Cl2F2N3OS

Mol. Mass.

436.262

SMILES

Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|

Structure