Reaction Details Report a problem with these data
Target
Ephrin type-A receptor 7
Ligand
BDBM50345579
Substrate
n/a
Meas. Tech.
ChEMBL_751824 (CHEMBL1785579)
IC50
4.2±n/a nM
Citation
Thomas, M; Huang, WS; Wen, D; Zhu, X; Wang, Y; Metcalf, CA; Liu, S; Chen, I; Romero, J; Zou, D; Sundaramoorthi, R; Li, F; Qi, J; Cai, L; Zhou, T; Commodore, L; Xu, Q; Keats, J; Wang, F; Wardwell, S; Ning, Y; Snodgrass, JT; Broudy, MI; Russian, K; Iuliucci, J; Rivera, VM; Sawyer, TK; Dalgarno, DC; Clackson, T; Shakespeare, WC Discovery of 5-(arenethynyl) hetero-monocyclic derivatives as potent inhibitors of BCR-ABL including the T315I gatekeeper mutant. Bioorg Med Chem Lett 21:3743-8 (2011) [PubMed] Article
More Info.:
Target
Name:
Ephrin type-A receptor 7
Synonyms:
2.7.10.1 | EHK-3 | EHK3 | EK11 | EPH homology kinase 3 | EPH-like kinase 11 | EPHA7 | EPHA7_HUMAN | Ephrin receptor | HEK11 | Tyrosine Kinase EPHA6 | Tyrosine Kinase EPHA7
Type:
n/a
Mol. Mass.:
112085.32
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
998
Sequence:
MVFQTRYPSWIILCYIWLLRFAHTGEAQAAKEVLLLDSKAQQTELEWISSPPNGWEEISGLDENYTPIRTYQVCQVMEPNQNNWLRTNWISKGNAQRIFVELKFTLRDCNSLPGVLGTCKETFNLYYYETDYDTGRNIRENLYVKIDTIAADESFTQGDLGERKMKLNTEVREIGPLSKKGFYLAFQDVGACIALVSVKVYYKKCWSIIENLAIFPDTVTGSEFSSLVEVRGTCVSSAEEEAENAPRMHCSAEGEWLVPIGKCICKAGYQQKGDTCEPCGRGFYKSSSQDLQCSRCPTHSFSDKEGSSRCECEDGYYRAPSDPPYVACTRPPSAPQNLIFNINQTTVSLEWSPPADNGGRNDVTYRILCKRCSWEQGECVPCGSNIGYMPQQTGLEDNYVTVMDLLAHANYTFEVEAVNGVSDLSRSQRLFAAVSITTGQAAPSQVSGVMKERVLQRSVELSWQEPEHPNGVITEYEIKYYEKDQRERTYSTVKTKSTSASINNLKPGTVYVFQIRAFTAAGYGNYSPRLDVATLEEATGKMFEATAVSSEQNPVIIIAVVAVAGTIILVFMVFGFIIGRRHCGYSKADQEGDEELYFHFKFPGTKTYIDPETYEDPNRAVHQFAKELDASCIKIERVIGAGEFGEVCSGRLKLPGKRDVAVAIKTLKVGYTEKQRRDFLCEASIMGQFDHPNVVHLEGVVTRGKPVMIVIEFMENGALDAFLRKHDGQFTVIQLVGMLRGIAAGMRYLADMGYVHRDLAARNILVNSNLVCKVSDFGLSRVIEDDPEAVYTTTGGKIPVRWTAPEAIQYRKFTSASDVWSYGIVMWEVMSYGERPYWDMSNQDVIKAIEEGYRLPAPMDCPAGLHQLMLDCWQKERAERPKFEQIVGILDKMIRNPNSLKTPLGTCSRPISPLLDQNTPDFTTFCSVGEWLQAIKMERYKDNFTAAGYNSLESVARMTIEDVMSLGITLVGHQKKIMSSIQTMRAQMLHLHGTGIQV
Inhibitor
Name:
BDBM50345579
Synonyms:
5-((5-(4-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-3-(trifluoromethyl)phenylcarbamoyl)-2-methylphenyl)ethynyl)-N,1-dimethyl-1H-imidazole-2-carboxamide | CHEMBL1784637
Type:
Small organic molecule
Emp. Form.:
C30H33F3N6O3
Mol. Mass.:
582.6166
SMILES:
CNC(=O)c1ncc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(CCO)CC3)c(c2)C(F)(F)F)n1C