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SMILES: CC(C)c1ccc(C(=O)Nc2cccc(C)n2)c(c1)C(O)=O

InChI Key: InChIKey=KVTVWSRXECDHQR-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50445055   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sortilin (Homo sapiens (Human))	BDBM50445055 (CHEMBL3098744 | US10195186, Example 45 | US9682967...) Show SMILES CC(C)c1ccc(C(=O)Nc2cccc(C)n2)c(c1)C(O)=O Show InChI InChI=1S/C17H18N2O3/c1-10(2)12-7-8-13(14(9-12)17(21)22)16(20)19-15-6-4-5-11(3)18-15/h4-10H,1-3H3,(H,21,22)(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	190	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))	BDBM50445055 (CHEMBL3098744 | US10195186, Example 45 | US9682967...) Show SMILES CC(C)c1ccc(C(=O)Nc2cccc(C)n2)c(c1)C(O)=O Show InChI InChI=1S/C17H18N2O3/c1-10(2)12-7-8-13(14(9-12)17(21)22)16(20)19-15-6-4-5-11(3)18-15/h4-10H,1-3H3,(H,21,22)(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	1.05E+3	n/a	1.10E+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))	BDBM50445055 (CHEMBL3098744 | US10195186, Example 45 | US9682967...) Show SMILES CC(C)c1ccc(C(=O)Nc2cccc(C)n2)c(c1)C(O)=O Show InChI InChI=1S/C17H18N2O3/c1-10(2)12-7-8-13(14(9-12)17(21)22)16(20)19-15-6-4-5-11(3)18-15/h4-10H,1-3H3,(H,21,22)(H,18,19,20)	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	200	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))	BDBM50445055 (CHEMBL3098744 | US10195186, Example 45 | US9682967...) Show SMILES CC(C)c1ccc(C(=O)Nc2cccc(C)n2)c(c1)C(O)=O Show InChI InChI=1S/C17H18N2O3/c1-10(2)12-7-8-13(14(9-12)17(21)22)16(20)19-15-6-4-5-11(3)18-15/h4-10H,1-3H3,(H,21,22)(H,18,19,20)	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	1.10E+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