Reaction Details Report a problem with these data
Target
Ephrin type-B receptor 4
Ligand
BDBM50100323
Substrate
n/a
Meas. Tech.
ChEMBL_1454052 (CHEMBL3361798)
IC50
720±n/a nM
Citation
 Unzue, A; Dong, J; Lafleur, K; Zhao, H; Frugier, E; Caflisch, A; Nevado, C Pyrrolo[3,2-b]quinoxaline derivatives as types I1/2 and II Eph tyrosine kinase inhibitors: structure-based design, synthesis, and in vivo validation. J Med Chem 57:6834-44 (2014) [PubMed]  Article 
Target
Name:
Ephrin type-B receptor 4
Synonyms:
Tyrosine-protein kinase TYRO11 | Ephrin type-B receptor 4 precursor (Tyrosine-protein kinase receptor HTK). | Hepatoma transmembrane kinase | EPHB4_HUMAN | EPHB4 | HTK | MYK1 | TYRO11 | VHL/Ephrin type-B receptor 4 | Ephrin receptor
Type:
Enzyme
Mol. Mass.:
108273.51
Organism:
Human
Description:
P54760
Residue:
987
Sequence:
MELRVLLCWASLAAALEETLLNTKLETADLKWVTFPQVDGQWEELSGLDEEQHSVRTYEVCDVQRAPGQAHWLRTGWVPRRGAVHVYATLRFTMLECLSLPRAGRSCKETFTVFYYESDADTATALTPAWMENPYIKVDTVAAEHLTRKRPGAEATGKVNVKTLRLGPLSKAGFYLAFQDQGACMALLSLHLFYKKCAQLTVNLTRFPETVPRELVVPVAGSCVVDAVPAPGPSPSLYCREDGQWAEQPVTGCSCAPGFEAAEGNTKCRACAQGTFKPLSGEGSCQPCPANSHSNTIGSAVCQCRVGYFRARTDPRGAPCTTPPSAPRSVVSRLNGSSLHLEWSAPLESGGREDLTYALRCRECRPGGSCAPCGGDLTFDPGPRDLVEPWVVVRGLRPDFTYTFEVTALNGVSSLATGPVPFEPVNVTTDREVPPAVSDIRVTRSSPSSLSLAWAVPRAPSGAVLDYEVKYHEKGAEGPSSVRFLKTSENRAELRGLKRGASYLVQVRARSEAGYGPFGQEHHSQTQLDESEGWREQLALIAGTAVVGVVLVLVVIVVAVLCLRKQSNGREAEYSDKHGQYLIGHGTKVYIDPFTYEDPNEAVREFAKEIDVSYVKIEEVIGAGEFGEVCRGRLKAPGKKESCVAIKTLKGGYTERQRREFLSEASIMGQFEHPNIIRLEGVVTNSMPVMILTEFMENGALDSFLRLNDGQFTVIQLVGMLRGIASGMRYLAEMSYVHRDLAARNILVNSNLVCKVSDFGLSRFLEENSSDPTYTSSLGGKIPIRWTAPEAIAFRKFTSASDAWSYGIVMWEVMSFGERPYWDMSNQDVINAIEQDYRLPPPPDCPTSLHQLMLDCWQKDRNARPRFPQVVSALDKMIRNPASLKIVARENGGASHPLLDQRQPHYSAFGSVGEWLRAIKMGRYEESFAAAGFGSFELVSQISAEDLLRIGVTLAGHQKKILASVQHMKSQAKPGTPGGTGGPAPQY
  
Inhibitor
Name:
BDBM50100323
Synonyms:
CHEMBL3321803
Type:
Small organic molecule
Emp. Form.:
C19H17N5O2
Mol. Mass.:
347.14
SMILES:
COc1ccc(C)c(c1)-n1c(N)c(C(N)=O)c2nc3ccccc3nc12 |(11.88,-35.21,;11.41,-33.74,;9.9,-33.43,;8.86,-34.57,;7.36,-34.25,;6.88,-32.78,;5.37,-32.46,;7.91,-31.64,;9.42,-31.96,;7.44,-30.18,;8.34,-28.94,;9.88,-28.94,;7.44,-27.68,;7.91,-26.22,;9.4,-25.82,;6.88,-25.07,;5.97,-28.16,;4.64,-27.39,;3.3,-28.16,;1.97,-27.39,;.64,-28.16,;.64,-29.7,;1.97,-30.48,;3.3,-29.7,;4.64,-30.48,;5.97,-29.7,)|
Structure:
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