Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Mer' and Ligand = 'BDBM50469372'   

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))	BDBM50469372 (CHEMBL4280761) Show SMILES CCCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:14.13,wD:17.17,4.4,(29.82,-8.23,;31.15,-9,;32.48,-8.23,;33.82,-9,;35.15,-8.23,;35.15,-6.69,;36.48,-9,;37.82,-8.23,;37.82,-6.69,;39.15,-5.92,;40.48,-6.68,;41.96,-6.2,;42.87,-7.46,;41.96,-8.71,;42.71,-10.05,;44.24,-10.08,;44.99,-11.43,;44.19,-12.75,;44.93,-14.1,;42.65,-12.72,;41.91,-11.37,;40.48,-8.23,;39.15,-9,;42.67,-4.84,;44.21,-4.78,;44.93,-3.42,;44.1,-2.11,;44.81,-.75,;46.35,-.68,;47.17,-1.99,;48.71,-1.93,;49.42,-.56,;50.96,-.5,;48.6,.75,;47.06,.69,;42.55,-2.18,;41.85,-3.55,)| Show InChI InChI=1S/C30H44N6O/c1-4-5-6-22(2)32-30-31-19-27-28(21-36(29(27)33-30)25-11-13-26(37)14-12-25)24-9-7-23(8-10-24)20-35-17-15-34(3)16-18-35/h7-10,19,21-22,25-26,37H,4-6,11-18,20H2,1-3H3,(H,31,32,33)/t22-,25-,26-/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	2.60	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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