Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Sortilin' and Ligand = 'BDBM50445043'   

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
Sortilin (Homo sapiens (Human))	BDBM50445043 (CHEMBL3098766 | US10195186, Example 39 | US9682967...) Show SMILES COc1cccc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)n1 Show InChI InChI=1S/C15H11F3N2O4/c1-24-12-4-2-3-11(19-12)20-13(21)9-6-5-8(15(16,17)18)7-10(9)14(22)23/h2-7H,1H3,(H,22,23)(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	1.24E+3	n/a	1.30E+3	n/a	n/a	n/a	n/a	7.4	n/a
H. Lundbeck A/S US Patent					Assay Description The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...				US Patent US9682967 (2017) BindingDB Entry DOI: 10.7270/Q22805SC
					More data for this Ligand-Target Pair
Sortilin (Homo sapiens (Human))	BDBM50445043 (CHEMBL3098766 | US10195186, Example 39 | US9682967...) Show SMILES COc1cccc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)n1 Show InChI InChI=1S/C15H11F3N2O4/c1-24-12-4-2-3-11(19-12)20-13(21)9-6-5-8(15(16,17)18)7-10(9)14(22)23/h2-7H,1H3,(H,22,23)(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	7.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...				US Patent US10195186 (2019) BindingDB Entry DOI: 10.7270/Q2474CZW
					More data for this Ligand-Target Pair
Sortilin (Homo sapiens (Human))	BDBM50445043 (CHEMBL3098766 | US10195186, Example 39 | US9682967...) Show SMILES COc1cccc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)n1 Show InChI InChI=1S/C15H11F3N2O4/c1-24-12-4-2-3-11(19-12)20-13(21)9-6-5-8(15(16,17)18)7-10(9)14(22)23/h2-7H,1H3,(H,22,23)(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]-neurotensin from sortilin (unknown origin) incubated 30 mins prior to [3H]-neurotensin addition measured after 6 hrs by scintill...				Bioorg Med Chem Lett 24: 177-80 (2013) Article DOI: 10.1016/j.bmcl.2013.11.046 BindingDB Entry DOI: 10.7270/Q2RN39BB
					More data for this Ligand-Target Pair
Sortilin (Homo sapiens (Human))	BDBM50445043 (CHEMBL3098766 | US10195186, Example 39 | US9682967...) Show SMILES COc1cccc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)n1 Show InChI InChI=1S/C15H11F3N2O4/c1-24-12-4-2-3-11(19-12)20-13(21)9-6-5-8(15(16,17)18)7-10(9)14(22)23/h2-7H,1H3,(H,22,23)(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...				US Patent US10195186 (2019) BindingDB Entry DOI: 10.7270/Q2474CZW
					More data for this Ligand-Target Pair