Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Sortilin' and Ligand = 'BDBM50445047'   

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))	BDBM50445047 (CHEMBL3098760 | US10195186, Example 22 | US9682967...) Show SMILES OC(=O)c1cc(Br)ccc1C(=O)Nc1cccc(Cl)n1 Show InChI InChI=1S/C13H8BrClN2O3/c14-7-4-5-8(9(6-7)13(19)20)12(18)17-11-3-1-2-10(15)16-11/h1-6H,(H,19,20)(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	1.52E+3	n/a	1.60E+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))	BDBM50445047 (CHEMBL3098760 | US10195186, Example 22 | US9682967...) Show SMILES OC(=O)c1cc(Br)ccc1C(=O)Nc1cccc(Cl)n1 Show InChI InChI=1S/C13H8BrClN2O3/c14-7-4-5-8(9(6-7)13(19)20)12(18)17-11-3-1-2-10(15)16-11/h1-6H,(H,19,20)(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	1.52E+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))	BDBM50445047 (CHEMBL3098760 | US10195186, Example 22 | US9682967...) Show SMILES OC(=O)c1cc(Br)ccc1C(=O)Nc1cccc(Cl)n1 Show InChI InChI=1S/C13H8BrClN2O3/c14-7-4-5-8(9(6-7)13(19)20)12(18)17-11-3-1-2-10(15)16-11/h1-6H,(H,19,20)(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.60E+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
Sortilin (Homo sapiens (Human))	BDBM50445047 (CHEMBL3098760 | US10195186, Example 22 | US9682967...) Show SMILES OC(=O)c1cc(Br)ccc1C(=O)Nc1cccc(Cl)n1 Show InChI InChI=1S/C13H8BrClN2O3/c14-7-4-5-8(9(6-7)13(19)20)12(18)17-11-3-1-2-10(15)16-11/h1-6H,(H,19,20)(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+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