Compile Data Set for Download or QSAR

Found 164 hits of ic50 for UniProtKB: Q99523   

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))	BDBM50445041 (CHEMBL3098768 | US10195186, Example 48 | US9682967...) Show SMILES OC(=O)c1cc(ccc1C(=O)Nc1ccc2CCCCc2n1)C(F)(F)F Show InChI InChI=1S/C18H15F3N2O3/c19-18(20,21)11-6-7-12(13(9-11)17(25)26)16(24)23-15-8-5-10-3-1-2-4-14(10)22-15/h5-9H,1-4H2,(H,25,26)(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	84	n/a	88	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))	BDBM159226 (US10195186, Example 46 | US9682967, 44) Show SMILES Cc1nccc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)n1 Show InChI InChI=1S/C14H10F3N3O3/c1-7-18-5-4-11(19-7)20-12(21)9-3-2-8(14(15,16)17)6-10(9)13(22)23/h2-6H,1H3,(H,22,23)(H,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	88	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))	BDBM50445041 (CHEMBL3098768 | US10195186, Example 48 | US9682967...) Show SMILES OC(=O)c1cc(ccc1C(=O)Nc1ccc2CCCCc2n1)C(F)(F)F Show InChI InChI=1S/C18H15F3N2O3/c19-18(20,21)11-6-7-12(13(9-11)17(25)26)16(24)23-15-8-5-10-3-1-2-4-14(10)22-15/h5-9H,1-4H2,(H,25,26)(H,22,23,24)	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	100	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))	BDBM50445042 (CHEMBL3098767 | US10195186, Example 7 | US9682967,...) Show SMILES Cc1ccc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)nc1C Show InChI InChI=1S/C16H13F3N2O3/c1-8-3-6-13(20-9(8)2)21-14(22)11-5-4-10(16(17,18)19)7-12(11)15(23)24/h3-7H,1-2H3,(H,23,24)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	162	n/a	170	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))	BDBM50445042 (CHEMBL3098767 | US10195186, Example 7 | US9682967,...) Show SMILES Cc1ccc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)nc1C Show InChI InChI=1S/C16H13F3N2O3/c1-8-3-6-13(20-9(8)2)21-14(22)11-5-4-10(16(17,18)19)7-12(11)15(23)24/h3-7H,1-2H3,(H,23,24)(H,20,21,22)	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	170	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))	BDBM50445042 (CHEMBL3098767 | US10195186, Example 7 | US9682967,...) Show SMILES Cc1ccc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)nc1C Show InChI InChI=1S/C16H13F3N2O3/c1-8-3-6-13(20-9(8)2)21-14(22)11-5-4-10(16(17,18)19)7-12(11)15(23)24/h3-7H,1-2H3,(H,23,24)(H,20,21,22)	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	170	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))	BDBM159232 (US10195186, Example 47 | US9682967, 45) Show SMILES Cc1cnc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)nc1C Show InChI InChI=1S/C15H12F3N3O3/c1-7-6-19-14(20-8(7)2)21-12(22)10-4-3-9(15(16,17)18)5-11(10)13(23)24/h3-6H,1-2H3,(H,23,24)(H,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	190	n/a	200	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))	BDBM50248034 (2-{[1-(7-Chloro-quinolin-4-yl)-5-(2,6-dimethoxy-ph...) Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O |TLB:38:37:35:31.32.33,39:29:35:31.32.33,28:29:31.38.32:36.34.35,THB:38:32:29.37.36:35,39:29:31.38.32:36.34.35,28:29:35:31.32.33,33:32:29:36.34.35,33:34:29:31.38.32,(-7.63,.4,;-6.3,-.36,;-6.29,-1.9,;-7.62,-2.68,;-7.62,-4.22,;-6.29,-4.99,;-4.95,-4.22,;-3.61,-4.99,;-3.61,-6.53,;-4.95,-2.67,;-3.63,-1.9,;-2.22,-2.52,;-1.19,-1.37,;-1.97,-.04,;-3.47,-.36,;-4.62,.66,;-6.08,.17,;-7.22,1.19,;-6.91,2.71,;-5.45,3.19,;-5.14,4.69,;-3.68,5.16,;-3.37,6.67,;-2.53,4.14,;-2.85,2.64,;-4.31,2.16,;.35,-1.53,;.98,-2.93,;1.24,-.27,;2.78,-.43,;3.43,1.2,;4.84,1.23,;6.02,2.07,;5.46,3.5,;3.95,3.52,;2.87,2.58,;3.44,1.99,;4.02,.52,;5.54,.51,;3.42,-1.84,;2.51,-3.09,;4.95,-2,)| Show InChI InChI=1S/C32H31ClN4O5/c1-41-27-4-3-5-28(42-2)29(27)26-16-24(36-37(26)25-8-9-34-23-15-21(33)6-7-22(23)25)30(38)35-32(31(39)40)19-11-17-10-18(13-19)14-20(32)12-17/h3-9,15-20H,10-14H2,1-2H3,(H,35,38)(H,39,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	238	n/a	n/a	n/a	n/a	n/a	n/a
Durham University Curated by ChEMBL					Assay Description Binding affinity to NTR3 (unknown origin)				Bioorg Med Chem 21: 4378-87 (2013) Article DOI: 10.1016/j.bmc.2013.04.075 BindingDB Entry DOI: 10.7270/Q27M09B6
					More data for this Ligand-Target Pair
Sortilin (Homo sapiens (Human))	BDBM159140 (US10195186, Example 18 | US9682967, 18) Show SMILES Cc1ncc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)nc1C Show InChI InChI=1S/C15H12F3N3O3/c1-7-8(2)20-12(6-19-7)21-13(22)10-4-3-9(15(16,17)18)5-11(10)14(23)24/h3-6H,1-2H3,(H,23,24)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	229	n/a	240	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))	BDBM159140 (US10195186, Example 18 | US9682967, 18) Show SMILES Cc1ncc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)nc1C Show InChI InChI=1S/C15H12F3N3O3/c1-7-8(2)20-12(6-19-7)21-13(22)10-4-3-9(15(16,17)18)5-11(10)14(23)24/h3-6H,1-2H3,(H,23,24)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	240	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))	BDBM50445054 (CHEMBL3098745 | US10195186, Example 1 | US9682967,...) Show SMILES Cc1cccc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)n1 Show InChI InChI=1S/C15H11F3N2O3/c1-8-3-2-4-12(19-8)20-13(21)10-6-5-9(15(16,17)18)7-11(10)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	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description The pro Sortilin assay was performed in total volume of 20 μl in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA ...				US Patent US10195186 (2019) BindingDB Entry DOI: 10.7270/Q2474CZW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sortilin (Homo sapiens (Human))	BDBM159226 (US10195186, Example 46 | US9682967, 44) Show SMILES Cc1nccc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)n1 Show InChI InChI=1S/C14H10F3N3O3/c1-7-18-5-4-11(19-7)20-12(21)9-3-2-8(14(15,16)17)6-10(9)13(22)23/h2-6H,1H3,(H,22,23)(H,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	286	n/a	300	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))	BDBM159213 (US10195186, Example 44 | US9682967, 42) Show SMILES CC(=C)c1ccc(C(=O)Nc2cccc(C)n2)c(c1)C(O)=O Show InChI InChI=1S/C17H16N2O3/c1-10(2)12-7-8-13(14(9-12)17(21)22)16(20)19-15-6-4-5-11(3)18-15/h4-9H,1H2,2-3H3,(H,21,22)(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	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))	BDBM50445054 (CHEMBL3098745 | US10195186, Example 1 | US9682967,...) Show SMILES Cc1cccc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)n1 Show InChI InChI=1S/C15H11F3N2O3/c1-8-3-2-4-12(19-8)20-13(21)10-6-5-9(15(16,17)18)7-11(10)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	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Displacement of [3H]-neurotensin from human His6-tagged sortilin pretreated for 30 mins followed by [3H]-neurotensin addition after 6 hrs measured fo...				Bioorg Med Chem Lett 27: 2629-2633 (2017) Article DOI: 10.1016/j.bmcl.2017.02.028 BindingDB Entry DOI: 10.7270/Q2TX3HS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sortilin (Homo sapiens (Human))	BDBM50445054 (CHEMBL3098745 | US10195186, Example 1 | US9682967,...) Show SMILES Cc1cccc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)n1 Show InChI InChI=1S/C15H11F3N2O3/c1-8-3-2-4-12(19-8)20-13(21)10-6-5-9(15(16,17)18)7-11(10)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	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	330	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				3D Structure (crystal)
Sortilin (Homo sapiens (Human))	BDBM159139 (US10195186, Example 17 | US9682967, 17) Show SMILES Cc1ccnc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)n1 Show InChI InChI=1S/C14H10F3N3O3/c1-7-4-5-18-13(19-7)20-11(21)9-3-2-8(14(15,16)17)6-10(9)12(22)23/h2-6H,1H3,(H,22,23)(H,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	343	n/a	360	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))	BDBM159138 (US10195186, Example 16 | US9682967, 16) Show SMILES OC(=O)c1cc(ccc1C(=O)Nc1ncc(cc1Cl)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C15H7ClF6N2O3/c16-10-4-7(15(20,21)22)5-23-11(10)24-12(25)8-2-1-6(14(17,18)19)3-9(8)13(26)27/h1-5H,(H,26,27)(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	343	n/a	360	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))	BDBM159138 (US10195186, Example 16 | US9682967, 16) Show SMILES OC(=O)c1cc(ccc1C(=O)Nc1ncc(cc1Cl)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C15H7ClF6N2O3/c16-10-4-7(15(20,21)22)5-23-11(10)24-12(25)8-2-1-6(14(17,18)19)3-9(8)13(26)27/h1-5H,(H,26,27)(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	360	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))	BDBM159139 (US10195186, Example 17 | US9682967, 17) Show SMILES Cc1ccnc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)n1 Show InChI InChI=1S/C14H10F3N3O3/c1-7-4-5-18-13(19-7)20-11(21)9-3-2-8(14(15,16)17)6-10(9)12(22)23/h2-6H,1H3,(H,22,23)(H,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	360	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))	BDBM50130880 (CHEMBL407196 | NT(1-13) | neurotensin | pGlu-Leu-T...) Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r| Show InChI InChI=1S/C78H121N21O20/c1-7-43(6)63(73(115)96-57(76(118)119)37-42(4)5)97-70(112)55(39-45-21-25-47(101)26-22-45)95-72(114)59-18-13-35-99(59)75(117)52(16-11-33-86-78(83)84)90-64(106)48(15-10-32-85-77(81)82)89-71(113)58-17-12-34-98(58)74(116)51(14-8-9-31-79)91-69(111)56(40-60(80)102)94-66(108)50(28-30-62(104)105)88-68(110)54(38-44-19-23-46(100)24-20-44)93-67(109)53(36-41(2)3)92-65(107)49-27-29-61(103)87-49/h19-26,41-43,48-59,63,100-101H,7-18,27-40,79H2,1-6H3,(H2,80,102)(H,87,103)(H,88,110)(H,89,113)(H,90,106)(H,91,111)(H,92,107)(H,93,109)(H,94,108)(H,95,114)(H,96,115)(H,97,112)(H,104,105)(H,118,119)(H4,81,82,85)(H4,83,84,86)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	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 human sortilin incubated 30 mins prior to [3H]-neurotensin addition measured after 6 hrs by scintillation proxi...				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))	BDBM50545414 (CHEMBL1852155) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCN(Cc2ccccc2)CCCN(CC(=C)C1)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C31H39N3O4S2/c1-26-11-15-30(16-12-26)39(35,36)33-21-7-19-32(25-29-9-5-4-6-10-29)20-8-22-34(24-28(3)23-33)40(37,38)31-17-13-27(2)14-18-31/h4-6,9-18H,3,7-8,19-25H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
University of Nevada Curated by ChEMBL					Assay Description Inhibition of GFP-tagged Sortilin (unknown origin) expressed in HEK293T cells after 42 hrs by FACS analysis				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127115 BindingDB Entry DOI: 10.7270/Q2SB49BX
					More data for this Ligand-Target Pair
Sortilin (Homo sapiens (Human))	BDBM50133194 (CHEMBL133849 | Compound KK2) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@@H](N)CCCCCNC)C(=O)N[C@@H](CC(C)C)C(O)=O |w:32.33| Show InChI InChI=1S/C40H68N10O8/c1-6-25(4)33(37(55)47-31(39(57)58)22-24(2)3)48-35(53)30(23-26-15-17-27(51)18-16-26)46-36(54)32-14-11-21-50(32)38(56)29(42)13-10-20-45-40(43)49-34(52)28(41)12-8-7-9-19-44-5/h15-18,24-25,28-33,44,51H,6-14,19-23,41-42H2,1-5H3,(H,46,54)(H,47,55)(H,48,53)(H,57,58)(H3,43,45,49,52)/t25-,28-,29-,30-,31-,32-,33-/m0/s1	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	400	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 3				J Med Chem 46: 4141-8 (2003) Article DOI: 10.1021/jm0300633 BindingDB Entry DOI: 10.7270/Q26M37KB
					More data for this Ligand-Target Pair
Sortilin (Homo sapiens (Human))	BDBM50133192 (CHEMBL439494 | Compound NT) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(O)=O)C(O)=O Show InChI InChI=1S/C69H108N20O18/c1-5-38(4)56(67(106)107)87-62(101)49(34-40-19-23-42(91)24-20-40)86-64(103)52-16-11-31-89(52)66(105)46(14-9-29-78-69(75)76)82-59(98)44(13-8-28-77-68(73)74)81-63(102)51-15-10-30-88(51)65(104)45(12-6-7-27-70)83-61(100)50(35-53(72)92)80-54(93)36-79-58(97)48(33-39-17-21-41(90)22-18-39)85-60(99)47(32-37(2)3)84-57(96)43(71)25-26-55(94)95/h17-24,37-38,43-52,56,90-91H,5-16,25-36,70-71H2,1-4H3,(H2,72,92)(H,79,97)(H,80,93)(H,81,102)(H,82,98)(H,83,100)(H,84,96)(H,85,99)(H,86,103)(H,87,101)(H,94,95)(H,106,107)(H4,73,74,77)(H4,75,76,78)/t38-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,56-/m0/s1	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	440	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 3				J Med Chem 46: 4141-8 (2003) Article DOI: 10.1021/jm0300633 BindingDB Entry DOI: 10.7270/Q26M37KB
					More data for this Ligand-Target Pair
Sortilin (Homo sapiens (Human))	BDBM50445054 (CHEMBL3098745 | US10195186, Example 1 | US9682967,...) Show SMILES Cc1cccc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)n1 Show InChI InChI=1S/C15H11F3N2O3/c1-8-3-2-4-12(19-8)20-13(21)10-6-5-9(15(16,17)18)7-11(10)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	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	429	n/a	450	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				3D Structure (crystal)
Sortilin (Homo sapiens (Human))	BDBM50445054 (CHEMBL3098745 | US10195186, Example 1 | US9682967,...) Show SMILES Cc1cccc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)n1 Show InChI InChI=1S/C15H11F3N2O3/c1-8-3-2-4-12(19-8)20-13(21)10-6-5-9(15(16,17)18)7-11(10)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	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	450	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				3D Structure (crystal)
Sortilin (Homo sapiens (Human))	BDBM159123 (US10195186, Example 11 | US9682967, 11) Show SMILES Cc1ccc(NC(=O)c2cc(Cl)c(Cl)cc2C(O)=O)nc1C Show InChI InChI=1S/C15H12Cl2N2O3/c1-7-3-4-13(18-8(7)2)19-14(20)9-5-11(16)12(17)6-10(9)15(21)22/h3-6H,1-2H3,(H,21,22)(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	457	n/a	480	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))	BDBM159129 (US10195186, Example 13 | US9682967, 13) Show SMILES Cc1nccc(NC(=O)c2cc(Cl)c(Cl)cc2C(O)=O)n1 Show InChI InChI=1S/C13H9Cl2N3O3/c1-6-16-3-2-11(17-6)18-12(19)7-4-9(14)10(15)5-8(7)13(20)21/h2-5H,1H3,(H,20,21)(H,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	457	n/a	480	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))	BDBM50133207 (CHEMBL133378 | Compound KK11) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@@H](N)CCCN(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |w:32.33| Show InChI InChI=1S/C39H66N10O8/c1-7-24(4)32(36(54)45-30(38(56)57)21-23(2)3)46-34(52)29(22-25-14-16-26(50)17-15-25)44-35(53)31-13-10-20-49(31)37(55)28(41)11-8-18-43-39(42)47-33(51)27(40)12-9-19-48(5)6/h14-17,23-24,27-32,50H,7-13,18-22,40-41H2,1-6H3,(H,44,53)(H,45,54)(H,46,52)(H,56,57)(H3,42,43,47,51)/t24-,27-,28-,29-,30-,31-,32-/m0/s1	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	480	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 3				J Med Chem 46: 4141-8 (2003) Article DOI: 10.1021/jm0300633 BindingDB Entry DOI: 10.7270/Q26M37KB
					More data for this Ligand-Target Pair
Sortilin (Homo sapiens (Human))	BDBM50133188 (CHEMBL336836 | Compound KK17) Show SMILES CCNC(N)=NCCC[C@H](N)C(=O)NC(N)=NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)=O |w:16.16,5.5| Show InChI InChI=1S/C40H68N12O8/c1-6-24(5)32(36(57)49-30(38(59)60)21-23(3)4)50-34(55)29(22-25-14-16-26(53)17-15-25)48-35(56)31-13-10-20-52(31)37(58)28(42)12-9-19-47-40(44)51-33(54)27(41)11-8-18-46-39(43)45-7-2/h14-17,23-24,27-32,53H,6-13,18-22,41-42H2,1-5H3,(H,48,56)(H,49,57)(H,50,55)(H,59,60)(H3,43,45,46)(H3,44,47,51,54)/t24-,27-,28-,29-,30-,31-,32-/m0/s1	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	480	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 3				J Med Chem 46: 4141-8 (2003) Article DOI: 10.1021/jm0300633 BindingDB Entry DOI: 10.7270/Q26M37KB
					More data for this Ligand-Target Pair
Sortilin (Homo sapiens (Human))	BDBM159129 (US10195186, Example 13 | US9682967, 13) Show SMILES Cc1nccc(NC(=O)c2cc(Cl)c(Cl)cc2C(O)=O)n1 Show InChI InChI=1S/C13H9Cl2N3O3/c1-6-16-3-2-11(17-6)18-12(19)7-4-9(14)10(15)5-8(7)13(20)21/h2-5H,1H3,(H,20,21)(H,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	480	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))	BDBM159123 (US10195186, Example 11 | US9682967, 11) Show SMILES Cc1ccc(NC(=O)c2cc(Cl)c(Cl)cc2C(O)=O)nc1C Show InChI InChI=1S/C15H12Cl2N2O3/c1-7-3-4-13(18-8(7)2)19-14(20)9-5-11(16)12(17)6-10(9)15(21)22/h3-6H,1-2H3,(H,21,22)(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	480	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))	BDBM50445044 (CHEMBL3098765 | US10195186, Example 36 | US9682967...) Show SMILES Cc1nccc(NC(=O)c2ccc(Br)cc2C(O)=O)n1 Show InChI InChI=1S/C13H10BrN3O3/c1-7-15-5-4-11(16-7)17-12(18)9-3-2-8(14)6-10(9)13(19)20/h2-6H,1H3,(H,19,20)(H,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	467	n/a	490	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))	BDBM159178 (US10195186, Example 34 | US9682967, 32) Show SMILES Cc1ccc(NC(=O)c2ccc(Br)cc2C(O)=O)nn1 Show InChI InChI=1S/C13H10BrN3O3/c1-7-2-5-11(17-16-7)15-12(18)9-4-3-8(14)6-10(9)13(19)20/h2-6H,1H3,(H,19,20)(H,15,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	490	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))	BDBM50445044 (CHEMBL3098765 | US10195186, Example 36 | US9682967...) Show SMILES Cc1nccc(NC(=O)c2ccc(Br)cc2C(O)=O)n1 Show InChI InChI=1S/C13H10BrN3O3/c1-7-15-5-4-11(16-7)17-12(18)9-3-2-8(14)6-10(9)13(19)20/h2-6H,1H3,(H,19,20)(H,15,16,17,18)	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	490	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))	BDBM50133201 (CHEMBL132524 | Compound KK18) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@@H](N)CCCNC1NCCN1)C(=O)N[C@@H](CC(C)C)C(O)=O |w:32.33| Show InChI InChI=1S/C40H68N12O8/c1-5-24(4)32(36(57)49-30(38(59)60)21-23(2)3)50-34(55)29(22-25-12-14-26(53)15-13-25)48-35(56)31-11-8-20-52(31)37(58)28(42)10-7-16-44-39(43)51-33(54)27(41)9-6-17-45-40-46-18-19-47-40/h12-15,23-24,27-32,40,45-47,53H,5-11,16-22,41-42H2,1-4H3,(H,48,56)(H,49,57)(H,50,55)(H,59,60)(H3,43,44,51,54)/t24-,27-,28-,29-,30-,31-,32-/m0/s1	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	510	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 3				J Med Chem 46: 4141-8 (2003) Article DOI: 10.1021/jm0300633 BindingDB Entry DOI: 10.7270/Q26M37KB
					More data for this Ligand-Target Pair
Sortilin (Homo sapiens (Human))	BDBM50133190 (CHEMBL430910 | Compound KK5) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O |w:32.33| Show InChI InChI=1S/C38H64N10O8/c1-5-23(4)31(35(53)45-29(37(55)56)20-22(2)3)46-33(51)28(21-24-13-15-25(49)16-14-24)44-34(52)30-12-9-19-48(30)36(54)27(41)11-8-18-43-38(42)47-32(50)26(40)10-6-7-17-39/h13-16,22-23,26-31,49H,5-12,17-21,39-41H2,1-4H3,(H,44,52)(H,45,53)(H,46,51)(H,55,56)(H3,42,43,47,50)/t23-,26-,27-,28-,29-,30-,31-/m0/s1	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	512	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 3				J Med Chem 46: 4141-8 (2003) Article DOI: 10.1021/jm0300633 BindingDB Entry DOI: 10.7270/Q26M37KB
					More data for this Ligand-Target Pair
Sortilin (Homo sapiens (Human))	BDBM50133202 (CHEMBL132794 | Compound KK4) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@@H](N)CCCCC[N+](C)(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |w:32.33| Show InChI InChI=1S/C42H72N10O8/c1-8-27(4)35(39(57)48-33(41(59)60)24-26(2)3)49-37(55)32(25-28-17-19-29(53)20-18-28)47-38(56)34-16-13-22-51(34)40(58)31(44)15-12-21-46-42(45)50-36(54)30(43)14-10-9-11-23-52(5,6)7/h17-20,26-27,30-35H,8-16,21-25,43-44H2,1-7H3,(H7-,45,46,47,48,49,50,53,54,55,56,57,59,60)/p+1/t27-,30-,31-,32-,33-,34-,35-/m0/s1	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	550	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 3				J Med Chem 46: 4141-8 (2003) Article DOI: 10.1021/jm0300633 BindingDB Entry DOI: 10.7270/Q26M37KB
					More data for this Ligand-Target Pair
Sortilin (Homo sapiens (Human))	BDBM159154 (US10195186, Example 23 | US9682967, 23) Show SMILES Cc1ccc(NC(=O)c2ccc(Br)cc2C(O)=O)nc1C Show InChI InChI=1S/C15H13BrN2O3/c1-8-3-6-13(17-9(8)2)18-14(19)11-5-4-10(16)7-12(11)15(20)21/h3-7H,1-2H3,(H,20,21)(H,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	543	n/a	570	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))	BDBM159154 (US10195186, Example 23 | US9682967, 23) Show SMILES Cc1ccc(NC(=O)c2ccc(Br)cc2C(O)=O)nc1C Show InChI InChI=1S/C15H13BrN2O3/c1-8-3-6-13(17-9(8)2)18-14(19)11-5-4-10(16)7-12(11)15(20)21/h3-7H,1-2H3,(H,20,21)(H,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	570	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))	BDBM50133193 (CHEMBL337721 | Neurotensin analogue) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@@H](N)CCCN1CCN=C1N)C(=O)N[C@@H](CC(C)C)C(O)=O |w:32.33,c:48| Show InChI InChI=1S/C40H66N12O8/c1-5-24(4)32(36(57)48-30(38(59)60)21-23(2)3)49-34(55)29(22-25-12-14-26(53)15-13-25)47-35(56)31-11-8-19-52(31)37(58)28(42)9-6-16-45-39(43)50-33(54)27(41)10-7-18-51-20-17-46-40(51)44/h12-15,23-24,27-32,53H,5-11,16-22,41-42H2,1-4H3,(H2,44,46)(H,47,56)(H,48,57)(H,49,55)(H,59,60)(H3,43,45,50,54)/t24-,27-,28-,29-,30-,31-,32-/m0/s1	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	590	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 3				J Med Chem 46: 4141-8 (2003) Article DOI: 10.1021/jm0300633 BindingDB Entry DOI: 10.7270/Q26M37KB
					More data for this Ligand-Target Pair
Sortilin (Homo sapiens (Human))	BDBM159285 (US9682967, 50) Show SMILES Cc1nccc(NC(=O)c2cc(c(cc2C(O)=O)C(F)(F)F)C(F)(F)F)n1 Show InChI InChI=1S/C15H9F6N3O3/c1-6-22-3-2-11(23-6)24-12(25)7-4-9(14(16,17)18)10(15(19,20)21)5-8(7)13(26)27/h2-5H,1H3,(H,26,27)(H,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	599	n/a	620	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))	BDBM159272 (US10195186, Example 50 | US9682967, 48) Show SMILES OC(=O)c1cc(c(cc1C(=O)Nc1ccc2CCCCc2n1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H14F6N2O3/c20-18(21,22)12-7-10(11(17(29)30)8-13(12)19(23,24)25)16(28)27-15-6-5-9-3-1-2-4-14(9)26-15/h5-8H,1-4H2,(H,29,30)(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	620	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))	BDBM159286 (US9682967, 51) Show SMILES Cc1cc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)cc(C)n1 Show InChI InChI=1S/C16H13F3N2O3/c1-8-5-11(6-9(2)20-8)21-14(22)12-4-3-10(16(17,18)19)7-13(12)15(23)24/h3-7H,1-2H3,(H,23,24)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	614	n/a	640	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))	BDBM159273 (US10195186, Example 51 | US9682967, 49) Show SMILES Cc1ccc(NC(=O)c2cc(c(cc2C(O)=O)C(F)(F)F)C(F)(F)F)nc1C Show InChI InChI=1S/C17H12F6N2O3/c1-7-3-4-13(24-8(7)2)25-14(26)9-5-11(16(18,19)20)12(17(21,22)23)6-10(9)15(27)28/h3-6H,1-2H3,(H,27,28)(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	640	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))	BDBM50240845 ((S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Amin...) Show SMILES [#6]-[#6]-[#6@@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r| Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25+,26+,27+,28+,29+,30+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 3				J Med Chem 46: 4141-8 (2003) Article DOI: 10.1021/jm0300633 BindingDB Entry DOI: 10.7270/Q26M37KB
					More data for this Ligand-Target Pair
Sortilin (Homo sapiens (Human))	BDBM50133195 (CHEMBL133340 | Compound KK10) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@@H](N)CCCNC)C(=O)N[C@@H](CC(C)C)C(O)=O |w:32.33| Show InChI InChI=1S/C38H64N10O8/c1-6-23(4)31(35(53)45-29(37(55)56)20-22(2)3)46-33(51)28(21-24-13-15-25(49)16-14-24)44-34(52)30-12-9-19-48(30)36(54)27(40)11-8-18-43-38(41)47-32(50)26(39)10-7-17-42-5/h13-16,22-23,26-31,42,49H,6-12,17-21,39-40H2,1-5H3,(H,44,52)(H,45,53)(H,46,51)(H,55,56)(H3,41,43,47,50)/t23-,26-,27-,28-,29-,30-,31-/m0/s1	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	640	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 3				J Med Chem 46: 4141-8 (2003) Article DOI: 10.1021/jm0300633 BindingDB Entry DOI: 10.7270/Q26M37KB
					More data for this Ligand-Target Pair
Sortilin (Homo sapiens (Human))	BDBM159121 (US10195186, Example 9 | US9682967, 9) Show SMILES Cc1cc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)ccn1 Show InChI InChI=1S/C15H11F3N2O3/c1-8-6-10(4-5-19-8)20-13(21)11-3-2-9(15(16,17)18)7-12(11)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	PC cid PC sid UniChem	US Patent	667	n/a	700	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))	BDBM159121 (US10195186, Example 9 | US9682967, 9) Show SMILES Cc1cc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)ccn1 Show InChI InChI=1S/C15H11F3N2O3/c1-8-6-10(4-5-19-8)20-13(21)11-3-2-9(15(16,17)18)7-12(11)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	PC cid PC sid UniChem	US Patent	n/a	n/a	700	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))	BDBM50133187 (CHEMBL133850 | Compound KK3) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@@H](N)CCCCCN(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |w:32.33| Show InChI InChI=1S/C41H70N10O8/c1-7-26(4)34(38(56)47-32(40(58)59)23-25(2)3)48-36(54)31(24-27-16-18-28(52)19-17-27)46-37(55)33-15-12-22-51(33)39(57)30(43)14-11-20-45-41(44)49-35(53)29(42)13-9-8-10-21-50(5)6/h16-19,25-26,29-34,52H,7-15,20-24,42-43H2,1-6H3,(H,46,55)(H,47,56)(H,48,54)(H,58,59)(H3,44,45,49,53)/t26-,29-,30-,31-,32-,33-,34-/m0/s1	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	700	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 3				J Med Chem 46: 4141-8 (2003) Article DOI: 10.1021/jm0300633 BindingDB Entry DOI: 10.7270/Q26M37KB
					More data for this Ligand-Target Pair

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