Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase Mer
Ligand
BDBM50469371
Substrate
n/a
Meas. Tech.
ChEMBL_1804040 (CHEMBL4276332)
IC50
3.6±n/a nM
Citation
Zhao, J; Zhang, D; Zhang, W; Stashko, MA; DeRyckere, D; Vasileiadi, E; Parker, RE; Hunter, D; Liu, Q; Zhang, Y; Norris-Drouin, J; Li, B; Drewry, DH; Kireev, D; Graham, DK; Earp, HS; Frye, SV; Wang, X Highly Selective MERTK Inhibitors Achieved by a Single Methyl Group. J Med Chem 61:10242-10254 (2018) [PubMed] Article
More Info.:
Target
Name:
Tyrosine-protein kinase Mer
Synonyms:
MER | MER intracellular domain/EGFR extracellular domain chimera | MERTK | MERTK_HUMAN | Proto-oncogene c-Mer | Proto-oncogene tyrosine-protein kinase MER | Receptor tyrosine kinase MerTK | Tyrosine-protein kinase Mer
Type:
PROTEIN
Mol. Mass.:
110234.77
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1498723
Residue:
999
Sequence:
MGPAPLPLLLGLFLPALWRRAITEAREEAKPYPLFPGPFPGSLQTDHTPLLSLPHASGYQPALMFSPTQPGRPHTGNVAIPQVTSVESKPLPPLAFKHTVGHIILSEHKGVKFNCSISVPNIYQDTTISWWKDGKELLGAHHAITQFYPDDEVTAIIASFSITSVQRSDNGSYICKMKINNEEIVSDPIYIEVQGLPHFTKQPESMNVTRNTAFNLTCQAVGPPEPVNIFWVQNSSRVNEQPEKSPSVLTVPGLTEMAVFSCEAHNDKGLTVSKGVQINIKAIPSPPTEVSIRNSTAHSILISWVPGFDGYSPFRNCSIQVKEADPLSNGSVMIFNTSALPHLYQIKQLQALANYSIGVSCMNEIGWSAVSPWILASTTEGAPSVAPLNVTVFLNESSDNVDIRWMKPPTKQQDGELVGYRISHVWQSAGISKELLEEVGQNGSRARISVQVHNATCTVRIAAVTRGGVGPFSDPVKIFIPAHGWVDYAPSSTPAPGNADPVLIIFGCFCGFILIGLILYISLAIRKRVQETKFGNAFTEEDSELVVNYIAKKSFCRRAIELTLHSLGVSEELQNKLEDVVIDRNLLILGKILGEGEFGSVMEGNLKQEDGTSLKVAVKTMKLDNSSQREIEEFLSEAACMKDFSHPNVIRLLGVCIEMSSQGIPKPMVILPFMKYGDLHTYLLYSRLETGPKHIPLQTLLKFMVDIALGMEYLSNRNFLHRDLAARNCMLRDDMTVCVADFGLSKKIYSGDYYRQGRIAKMPVKWIAIESLADRVYTSKSDVWAFGVTMWEIATRGMTPYPGVQNHEMYDYLLHGHRLKQPEDCLDELYEIMYSCWRTDPLDRPTFSVLRLQLEKLLESLPDVRNQADVIYVNTQLLESSEGLAQGSTLAPLDLNIDPDSIIASCTPRAAISVVTAEVHDSKPHEGRYILNGGSEEWEDLTSAPSAAVTAEKNSVLPGERLVRNGVSWSHSSMLPLGSSLPDELLFADDSSEGSEVLM
Inhibitor
Name:
BDBM50469371
Synonyms:
CHEMBL4288009
Type:
Small organic molecule
Emp. Form.:
C31H46N6O
Mol. Mass.:
518.7365
SMILES:
CCCCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:15.14,wD:18.18,5.5,(16.65,-22.53,;17.99,-21.76,;19.32,-22.53,;20.65,-21.76,;21.99,-22.53,;23.32,-21.76,;23.32,-20.22,;24.65,-22.54,;25.99,-21.77,;25.99,-20.22,;27.32,-19.45,;28.65,-20.22,;30.13,-19.74,;31.04,-20.99,;30.13,-22.24,;30.88,-23.59,;32.41,-23.61,;33.16,-24.97,;32.36,-26.28,;33.1,-27.63,;30.82,-26.25,;30.08,-24.91,;28.66,-21.77,;27.32,-22.54,;30.84,-18.37,;32.38,-18.31,;33.1,-16.95,;32.27,-15.65,;32.98,-14.28,;34.52,-14.21,;35.34,-15.52,;36.88,-15.46,;37.6,-14.1,;39.13,-14.04,;36.77,-12.79,;35.23,-12.85,;30.72,-15.72,;30.02,-17.08,)|