Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Mer' and Ligand = 'BDBM50469371'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase Mer (Homo sapiens (Human))	BDBM50469371 (CHEMBL4288009) Show 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,)| Show InChI InChI=1S/C31H46N6O/c1-4-5-6-7-23(2)33-31-32-20-28-29(22-37(30(28)34-31)26-12-14-27(38)15-13-26)25-10-8-24(9-11-25)21-36-18-16-35(3)17-19-36/h8-11,20,22-23,26-27,38H,4-7,12-19,21H2,1-3H3,(H,32,33,34)/t23-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
UNC Eshelman School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of MERTK (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay				J Med Chem 61: 10242-10254 (2018) Article DOI: 10.1021/acs.jmedchem.8b01229 BindingDB Entry DOI: 10.7270/Q2K076ZK
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