Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase Mer
Ligand
BDBM50444074
Substrate
n/a
Meas. Tech.
ChEMBL_1279519 (CHEMBL3097238)
IC50
1.7±n/a nM
Citation
Zhang, W; Zhang, D; Stashko, MA; DeRyckere, D; Hunter, D; Kireev, D; Miley, MJ; Cummings, C; Lee, M; Norris-Drouin, J; Stewart, WM; Sather, S; Zhou, Y; Kirkpatrick, G; Machius, M; Janzen, WP; Earp, HS; Graham, DK; Frye, SV; Wang, X Pseudo-cyclization through intramolecular hydrogen bond enables discovery of pyridine substituted pyrimidines as new Mer kinase inhibitors. J Med Chem 56:9683-92 (2014) [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:
Human
Description:
ChEMBL_1498723
Residue:
999
Sequence:
MGPAPLPLLLGLFLPALWRRAITEAREEAKPYPLFPGPFPGSLQTDHTPLLSLPHASGYQPALMFSPTQPGRPHTGNVAIPQVTSVESKPLPPLAFKHTVGHIILSEHKGVKFNCSISVPNIYQDTTISWWKDGKELLGAHHAITQFYPDDEVTAIIASFSITSVQRSDNGSYICKMKINNEEIVSDPIYIEVQGLPHFTKQPESMNVTRNTAFNLTCQAVGPPEPVNIFWVQNSSRVNEQPEKSPSVLTVPGLTEMAVFSCEAHNDKGLTVSKGVQINIKAIPSPPTEVSIRNSTAHSILISWVPGFDGYSPFRNCSIQVKEADPLSNGSVMIFNTSALPHLYQIKQLQALANYSIGVSCMNEIGWSAVSPWILASTTEGAPSVAPLNVTVFLNESSDNVDIRWMKPPTKQQDGELVGYRISHVWQSAGISKELLEEVGQNGSRARISVQVHNATCTVRIAAVTRGGVGPFSDPVKIFIPAHGWVDYAPSSTPAPGNADPVLIIFGCFCGFILIGLILYISLAIRKRVQETKFGNAFTEEDSELVVNYIAKKSFCRRAIELTLHSLGVSEELQNKLEDVVIDRNLLILGKILGEGEFGSVMEGNLKQEDGTSLKVAVKTMKLDNSSQREIEEFLSEAACMKDFSHPNVIRLLGVCIEMSSQGIPKPMVILPFMKYGDLHTYLLYSRLETGPKHIPLQTLLKFMVDIALGMEYLSNRNFLHRDLAARNCMLRDDMTVCVADFGLSKKIYSGDYYRQGRIAKMPVKWIAIESLADRVYTSKSDVWAFGVTMWEIATRGMTPYPGVQNHEMYDYLLHGHRLKQPEDCLDELYEIMYSCWRTDPLDRPTFSVLRLQLEKLLESLPDVRNQADVIYVNTQLLESSEGLAQGSTLAPLDLNIDPDSIIASCTPRAAISVVTAEVHDSKPHEGRYILNGGSEEWEDLTSAPSAAVTAEKNSVLPGERLVRNGVSWSHSSMLPLGSSLPDELLFADDSSEGSEVLM
Inhibitor
Name:
BDBM50444074
Synonyms:
CHEMBL3092791
Type:
Small organic molecule
Emp. Form.:
C22H34N6O
Mol. Mass.:
398.545
SMILES:
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CN(C)C)cn1 |r,wU:11.10,wD:14.14,(-4.06,-43.37,;-2.72,-42.6,;-1.39,-43.37,;-.05,-42.6,;1.29,-43.37,;2.62,-42.6,;3.96,-43.37,;5.29,-42.6,;5.29,-41.05,;3.95,-40.29,;3.95,-38.75,;2.61,-37.98,;1.29,-38.75,;-.06,-37.98,;-.06,-36.44,;-1.39,-35.67,;1.29,-35.67,;2.61,-36.44,;2.63,-41.06,;6.62,-40.28,;7.95,-41.05,;9.28,-40.27,;9.27,-38.73,;10.6,-37.96,;11.94,-38.72,;13.26,-37.94,;11.95,-40.26,;7.93,-37.97,;6.6,-38.75,)|