Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Mer' and Ligand = 'BDBM50469364'   

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))	BDBM50469364 (CHEMBL4291006) Show SMILES CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(NC2CCNCC2)cc1 |r,wU:12.11,wD:15.15,(20.69,-20.42,;20.68,-21.96,;22.01,-22.74,;23.34,-21.97,;24.67,-22.74,;26.01,-21.97,;26.01,-20.43,;27.34,-19.66,;28.67,-20.42,;30.15,-19.94,;31.06,-21.2,;30.15,-22.45,;30.89,-23.79,;32.43,-23.82,;33.17,-25.17,;32.37,-26.49,;33.12,-27.84,;30.84,-26.45,;30.1,-25.11,;28.67,-21.97,;27.34,-22.74,;30.86,-18.58,;32.4,-18.52,;33.11,-17.16,;32.29,-15.85,;32.99,-14.49,;34.53,-14.42,;35.35,-15.72,;36.88,-15.66,;37.6,-14.3,;36.78,-12.99,;35.23,-13.05,;30.74,-15.92,;30.03,-17.29,)| Show InChI InChI=1S/C27H38N6O/c1-2-3-14-29-27-30-17-24-25(18-33(26(24)32-27)22-8-10-23(34)11-9-22)19-4-6-20(7-5-19)31-21-12-15-28-16-13-21/h4-7,17-18,21-23,28,31,34H,2-3,8-16H2,1H3,(H,29,30,32)/t22-,23-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	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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