Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Mer' and Ligand = 'BDBM50469362'   

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))	BDBM50469362 (CHEMBL4293116) Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1cnn(c1)C1CCNCC1 |r,wU:13.12,wD:16.16,3.3,(3.25,-24.71,;4.58,-23.95,;5.92,-24.72,;7.25,-23.95,;7.25,-22.41,;8.58,-24.72,;9.92,-23.95,;9.92,-22.41,;11.25,-21.64,;12.59,-22.4,;14.06,-21.92,;14.97,-23.17,;14.06,-24.43,;14.81,-25.77,;16.34,-25.79,;17.09,-27.15,;16.29,-28.47,;17.03,-29.82,;14.75,-28.43,;14.01,-27.09,;12.59,-23.95,;11.25,-24.72,;14.77,-20.56,;14.08,-19.18,;15.18,-18.1,;16.55,-18.81,;16.29,-20.33,;17.92,-18.14,;19.2,-18.99,;20.58,-18.31,;20.68,-16.78,;19.4,-15.92,;18.01,-16.6,)| Show InChI InChI=1S/C25H37N7O/c1-3-4-17(2)29-25-27-14-22-23(18-13-28-32(15-18)20-9-11-26-12-10-20)16-31(24(22)30-25)19-5-7-21(33)8-6-19/h13-17,19-21,26,33H,3-12H2,1-2H3,(H,27,29,30)/t17-,19-,21-/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	2.20	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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