Compile Data Set for Download or QSAR

Found 110 hits with Last Name = 'brown' and Initial = 'wc'   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50114806 (CHEMBL3609752) Show SMILES COc1cc(ccc1-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O)-n1cnc(C)c1 |r| Show InChI InChI=1S/C25H22F4N6O2/c1-15-11-33(14-30-15)16-6-7-18(23(10-16)37-2)20-12-35(32-31-20)22-9-8-17-19(26)4-3-5-21(17)34(24(22)36)13-25(27,28)29/h3-7,10-12,14,22H,8-9,13H2,1-2H3/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG expressed in HEK293 cells by radioligand displacement assay				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50114807 (CHEMBL3608385) Show SMILES Cc1cn(cn1)-c1ccc(cc1OCC(F)(F)F)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C26H21F7N6O2/c1-15-10-37(14-34-15)21-7-5-16(9-23(21)41-13-26(31,32)33)19-11-39(36-35-19)22-8-6-17-18(27)3-2-4-20(17)38(24(22)40)12-25(28,29)30/h2-5,7,9-11,14,22H,6,8,12-13H2,1H3/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG expressed in HEK293 cells by radioligand displacement assay				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50114800 (CHEMBL3609749) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C25H22F4N6O2/c1-15-11-33(14-30-15)21-8-6-16(10-23(21)37-2)19-12-35(32-31-19)22-9-7-17-18(26)4-3-5-20(17)34(24(22)36)13-25(27,28)29/h3-6,8,10-12,14,22H,7,9,13H2,1-2H3/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG expressed in HEK293 cells by radioligand displacement assay				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50114836 (CHEMBL3608387) Show SMILES COc1c(F)c(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C25H21F5N6O2/c1-14-10-34(13-31-14)20-8-7-16(22(27)23(20)38-2)18-11-36(33-32-18)21-9-6-15-17(26)4-3-5-19(15)35(24(21)37)12-25(28,29)30/h3-5,7-8,10-11,13,21H,6,9,12H2,1-2H3/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG expressed in HEK293 cells by radioligand displacement assay				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50114805 (CHEMBL3608384) Show SMILES Cc1cn(cn1)-c1ccc(cc1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C24H20F4N6O/c1-15-11-32(14-29-15)17-7-5-16(6-8-17)20-12-34(31-30-20)22-10-9-18-19(25)3-2-4-21(18)33(23(22)35)13-24(26,27)28/h2-8,11-12,14,22H,9-10,13H2,1H3/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG expressed in HEK293 cells by radioligand displacement assay				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50114837 (CHEMBL3609755) Show SMILES COc1c(F)c(ccc1-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O)-n1cnc(C)c1 |r| Show InChI InChI=1S/C25H21F5N6O2/c1-14-10-34(13-31-14)20-8-7-16(23(38-2)22(20)27)18-11-36(33-32-18)21-9-6-15-17(26)4-3-5-19(15)35(24(21)37)12-25(28,29)30/h3-5,7-8,10-11,13,21H,6,9,12H2,1-2H3/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG expressed in HEK293 cells by radioligand displacement assay				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50114810 (CHEMBL3609754) Show SMILES Cc1cn(cn1)-c1ccc(-c2cn(nn2)[C@H]2CCc3c(F)cccc3N(CC(F)(F)F)C2=O)c(F)c1 |r| Show InChI InChI=1S/C24H19F5N6O/c1-14-10-33(13-30-14)15-5-6-16(19(26)9-15)20-11-35(32-31-20)22-8-7-17-18(25)3-2-4-21(17)34(23(22)36)12-24(27,28)29/h2-6,9-11,13,22H,7-8,12H2,1H3/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG expressed in HEK293 cells by radioligand displacement assay				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50114845 (CHEMBL3609759) Show SMILES COc1cc(ccc1-n1cnc(C)n1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C24H21F4N7O2/c1-14-29-13-35(31-14)20-8-6-15(10-22(20)37-2)18-11-34(32-30-18)21-9-7-16-17(25)4-3-5-19(16)33(23(21)36)12-24(26,27)28/h3-6,8,10-11,13,21H,7,9,12H2,1-2H3/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG expressed in HEK293 cells by radioligand displacement assay				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50114798 (CHEMBL3608381) Show SMILES COc1cc(ccc1-c1ccnc(C)c1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C27H23F4N5O2/c1-16-12-17(10-11-32-16)19-7-6-18(13-25(19)38-2)22-14-36(34-33-22)24-9-8-20-21(28)4-3-5-23(20)35(26(24)37)15-27(29,30)31/h3-7,10-14,24H,8-9,15H2,1-2H3/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid be...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50114806 (CHEMBL3609752) Show SMILES COc1cc(ccc1-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O)-n1cnc(C)c1 |r| Show InChI InChI=1S/C25H22F4N6O2/c1-15-11-33(14-30-15)16-6-7-18(23(10-16)37-2)20-12-35(32-31-20)22-9-8-17-19(26)4-3-5-21(17)34(24(22)36)13-25(27,28)29/h3-7,10-12,14,22H,8-9,13H2,1-2H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid be...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50114837 (CHEMBL3609755) Show SMILES COc1c(F)c(ccc1-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O)-n1cnc(C)c1 |r| Show InChI InChI=1S/C25H21F5N6O2/c1-14-10-34(13-31-14)20-8-7-16(23(38-2)22(20)27)18-11-36(33-32-18)21-9-6-15-17(26)4-3-5-19(15)35(24(21)37)12-25(28,29)30/h3-5,7-8,10-11,13,21H,6,9,12H2,1-2H3/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid be...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50114798 (CHEMBL3608381) Show SMILES COc1cc(ccc1-c1ccnc(C)c1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C27H23F4N5O2/c1-16-12-17(10-11-32-16)19-7-6-18(13-25(19)38-2)22-14-36(34-33-22)24-9-8-20-21(28)4-3-5-23(20)35(26(24)37)15-27(29,30)31/h3-7,10-14,24H,8-9,15H2,1-2H3/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid be...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM50201564 (CHEMBL3890777) Show SMILES NC(=O)c1nn(CC(=O)N2CCS[C@H]2C(=O)Nc2cccc(Br)n2)c2ncccc12 |r| Show InChI InChI=1S/C18H16BrN7O3S/c19-11-4-1-5-12(22-11)23-17(29)18-25(7-8-30-18)13(27)9-26-16-10(3-2-6-21-16)14(24-26)15(20)28/h1-6,18H,7-9H2,(H2,20,28)(H,22,23,29)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 6His-tagged complement factor D (26 to 253 residues) expressed in Sf9 insect cells preincubated for 1 hr f...				ACS Med Chem Lett 7: 1092-1096 (2016) Article DOI: 10.1021/acsmedchemlett.6b00299 BindingDB Entry DOI: 10.7270/Q26T0PM3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Complement factor D (Homo sapiens (Human))	BDBM50201568 (CHEMBL3951127) Show SMILES [H][C@]12C[C@@]1([H])N([C@@H](C2)C(=O)Nc1cccc(Br)n1)C(=O)Cn1ncc2ccccc12 |r| Show InChI InChI=1S/C20H18BrN5O2/c21-17-6-3-7-18(23-17)24-20(28)16-9-13-8-15(13)26(16)19(27)11-25-14-5-2-1-4-12(14)10-22-25/h1-7,10,13,15-16H,8-9,11H2,(H,23,24,28)/t13-,15-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human serum factor D-mediated complement activation in rabbit erythrocytes assessed as reduction in rabbit erythrocyte hemolysis preinc...				ACS Med Chem Lett 7: 1092-1096 (2016) Article DOI: 10.1021/acsmedchemlett.6b00299 BindingDB Entry DOI: 10.7270/Q26T0PM3
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50114793 (CHEMBL3608392) Show SMILES COc1cc(ccc1-c1cnn(C)c1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C25H22F4N6O2/c1-33-12-16(11-30-33)17-7-6-15(10-23(17)37-2)20-13-35(32-31-20)22-9-8-18-19(26)4-3-5-21(18)34(24(22)36)14-25(27,28)29/h3-7,10-13,22H,8-9,14H2,1-2H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid be...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM50201564 (CHEMBL3890777) Show SMILES NC(=O)c1nn(CC(=O)N2CCS[C@H]2C(=O)Nc2cccc(Br)n2)c2ncccc12 |r| Show InChI InChI=1S/C18H16BrN7O3S/c19-11-4-1-5-12(22-11)23-17(29)18-25(7-8-30-18)13(27)9-26-16-10(3-2-6-21-16)14(24-26)15(20)28/h1-6,18H,7-9H2,(H2,20,28)(H,22,23,29)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Competitive inhibition of human complement factor D preincubated for 1 hr followed by addition of Z-Lys-thiobenzyl ester as substrate measured over 5...				ACS Med Chem Lett 7: 1092-1096 (2016) Article DOI: 10.1021/acsmedchemlett.6b00299 BindingDB Entry DOI: 10.7270/Q26T0PM3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50114796 (CHEMBL3608380) Show SMILES COc1cc(ccc1-c1sc(C)nc1C)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C26H23F4N5O2S/c1-14-24(38-15(2)31-14)18-8-7-16(11-23(18)37-3)20-12-35(33-32-20)22-10-9-17-19(27)5-4-6-21(17)34(25(22)36)13-26(28,29)30/h4-8,11-12,22H,9-10,13H2,1-3H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid be...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50114803 (CHEMBL3608383) Show SMILES COc1cc(ccc1-n1cc(C)nc1C)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C26H24F4N6O2/c1-15-12-34(16(2)31-15)22-9-7-17(11-24(22)38-3)20-13-36(33-32-20)23-10-8-18-19(27)5-4-6-21(18)35(25(23)37)14-26(28,29)30/h4-7,9,11-13,23H,8,10,14H2,1-3H3/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid be...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50114842 (CHEMBL3608390) Show SMILES COc1cc(cnc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C24H21F4N7O2/c1-14-10-33(13-30-14)22-21(37-2)8-15(9-29-22)18-11-35(32-31-18)20-7-6-16-17(25)4-3-5-19(16)34(23(20)36)12-24(26,27)28/h3-5,8-11,13,20H,6-7,12H2,1-2H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid be...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50114800 (CHEMBL3609749) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C25H22F4N6O2/c1-15-11-33(14-30-15)21-8-6-16(10-23(21)37-2)19-12-35(32-31-19)22-9-7-17-18(26)4-3-5-20(17)34(24(22)36)13-25(27,28)29/h3-6,8,10-12,14,22H,7,9,13H2,1-2H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid be...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM50201565 (CHEMBL3941259) Show SMILES [H][C@]12C[C@@]1([H])N([C@@H](C2)C(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2cccnc12 |r| Show InChI InChI=1S/C20H18BrN7O3/c21-14-4-1-5-15(24-14)25-20(31)13-8-10-7-12(10)28(13)16(29)9-27-19-11(3-2-6-23-19)17(26-27)18(22)30/h1-6,10,12-13H,7-9H2,(H2,22,30)(H,24,25,31)/t10-,12-,13+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Competitive inhibition of human complement factor D preincubated for 1 hr followed by addition of Z-Lys-thiobenzyl ester as substrate measured over 5...				ACS Med Chem Lett 7: 1092-1096 (2016) Article DOI: 10.1021/acsmedchemlett.6b00299 BindingDB Entry DOI: 10.7270/Q26T0PM3
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50114836 (CHEMBL3608387) Show SMILES COc1c(F)c(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C25H21F5N6O2/c1-14-10-34(13-31-14)20-8-7-16(22(27)23(20)38-2)18-11-36(33-32-18)21-9-6-15-17(26)4-3-5-19(15)35(24(21)37)12-25(28,29)30/h3-5,7-8,10-11,13,21H,6,9,12H2,1-2H3/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid be...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50114802 (CHEMBL3609750) Show SMILES COc1cc(ccc1-n1ccnc1C)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C25H22F4N6O2/c1-15-30-10-11-33(15)21-8-6-16(12-23(21)37-2)19-13-35(32-31-19)22-9-7-17-18(26)4-3-5-20(17)34(24(22)36)14-25(27,28)29/h3-6,8,10-13,22H,7,9,14H2,1-2H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid be...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50114845 (CHEMBL3609759) Show SMILES COc1cc(ccc1-n1cnc(C)n1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C24H21F4N7O2/c1-14-29-13-35(31-14)20-8-6-15(10-22(20)37-2)18-11-34(32-30-18)21-9-7-16-17(25)4-3-5-19(16)33(23(21)36)12-24(26,27)28/h3-6,8,10-11,13,21H,7,9,12H2,1-2H3/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid be...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50114791 (CHEMBL3609748) Show SMILES CC(C)CC[C@H](CCC(F)(F)F)N1CC[C@@H](CC(O)=O)C[C@H]1c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C23H31F6NO2/c1-15(2)3-8-19(9-11-22(24,25)26)30-12-10-16(14-21(31)32)13-20(30)17-4-6-18(7-5-17)23(27,28)29/h4-7,15-16,19-20H,3,8-14H2,1-2H3,(H,31,32)/t16-,19-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SKNBE-2 cells assessed as inhibition of intracellular amyloid beta 42 production after 6 hrs by sandwich ELISA				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM50201565 (CHEMBL3941259) Show SMILES [H][C@]12C[C@@]1([H])N([C@@H](C2)C(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2cccnc12 |r| Show InChI InChI=1S/C20H18BrN7O3/c21-14-4-1-5-15(24-14)25-20(31)13-8-10-7-12(10)28(13)16(29)9-27-19-11(3-2-6-23-19)17(26-27)18(22)30/h1-6,10,12-13H,7-9H2,(H2,22,30)(H,24,25,31)/t10-,12-,13+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human serum factor D-mediated complement activation in rabbit erythrocytes assessed as reduction in rabbit erythrocyte hemolysis preinc...				ACS Med Chem Lett 7: 1092-1096 (2016) Article DOI: 10.1021/acsmedchemlett.6b00299 BindingDB Entry DOI: 10.7270/Q26T0PM3
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50114839 (CHEMBL3609756) Show SMILES Cc1cn(cn1)-c1ccc(cc1C#N)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C25H19F4N7O/c1-15-11-34(14-31-15)21-7-5-16(9-17(21)10-30)20-12-36(33-32-20)23-8-6-18-19(26)3-2-4-22(18)35(24(23)37)13-25(27,28)29/h2-5,7,9,11-12,14,23H,6,8,13H2,1H3/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid be...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50114804 (CHEMBL3609751) Show SMILES COc1cc(ccc1-n1cnc(c1)C(F)(F)F)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C25H19F7N6O2/c1-40-21-9-14(5-7-19(21)36-11-22(33-13-36)25(30,31)32)17-10-38(35-34-17)20-8-6-15-16(26)3-2-4-18(15)37(23(20)39)12-24(27,28)29/h2-5,7,9-11,13,20H,6,8,12H2,1H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid be...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50114810 (CHEMBL3609754) Show SMILES Cc1cn(cn1)-c1ccc(-c2cn(nn2)[C@H]2CCc3c(F)cccc3N(CC(F)(F)F)C2=O)c(F)c1 |r| Show InChI InChI=1S/C24H19F5N6O/c1-14-10-33(13-30-14)15-5-6-16(19(26)9-15)20-11-35(32-31-20)22-8-7-17-18(25)3-2-4-21(17)34(23(22)36)12-24(27,28)29/h2-6,9-11,13,22H,7-8,12H2,1H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid be...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50114844 (CHEMBL3608391) Show SMILES Cc1cn(cn1)-c1ncc(s1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C21H17F4N7OS/c1-12-8-30(11-27-12)20-26-7-18(34-20)15-9-32(29-28-15)17-6-5-13-14(22)3-2-4-16(13)31(19(17)33)10-21(23,24)25/h2-4,7-9,11,17H,5-6,10H2,1H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid be...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50114789 (CHEMBL3609747) Show SMILES OC(=O)[C@H](CC1CCC1)c1cc(Cl)c(OCC(F)(F)F)c(c1)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C22H19ClF6O3/c23-18-10-14(17(20(30)31)8-12-2-1-3-12)9-16(19(18)32-11-21(24,25)26)13-4-6-15(7-5-13)22(27,28)29/h4-7,9-10,12,17H,1-3,8,11H2,(H,30,31)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human H4 cells expressing wild type APP751 assessed as inhibition of intracellular amyloid beta 42 production after ...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50114796 (CHEMBL3608380) Show SMILES COc1cc(ccc1-c1sc(C)nc1C)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C26H23F4N5O2S/c1-14-24(38-15(2)31-14)18-8-7-16(11-23(18)37-3)20-12-35(33-32-20)22-10-9-17-19(27)5-4-6-21(17)34(25(22)36)13-26(28,29)30/h4-8,11-12,22H,9-10,13H2,1-3H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid be...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50114805 (CHEMBL3608384) Show SMILES Cc1cn(cn1)-c1ccc(cc1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C24H20F4N6O/c1-15-11-32(14-29-15)17-7-5-16(6-8-17)20-12-34(31-30-20)22-10-9-18-19(25)3-2-4-21(18)33(23(22)35)13-24(26,27)28/h2-8,11-12,14,22H,9-10,13H2,1H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid be...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50114806 (CHEMBL3609752) Show SMILES COc1cc(ccc1-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O)-n1cnc(C)c1 |r| Show InChI InChI=1S/C25H22F4N6O2/c1-15-11-33(14-30-15)16-6-7-18(23(10-16)37-2)20-12-35(32-31-20)22-9-8-17-19(26)4-3-5-21(17)34(24(22)36)13-25(27,28)29/h3-7,10-12,14,22H,8-9,13H2,1-2H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid be...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM50201569 (CHEMBL3924715) Show SMILES Brc1cccc(NC(=O)[C@@H]2SCCN2C(=O)Cn2ncc3ccccc23)n1 |r| Show InChI InChI=1S/C18H16BrN5O2S/c19-14-6-3-7-15(21-14)22-17(26)18-23(8-9-27-18)16(25)11-24-13-5-2-1-4-12(13)10-20-24/h1-7,10,18H,8-9,11H2,(H,21,22,26)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human serum factor D-mediated complement activation in rabbit erythrocytes assessed as reduction in rabbit erythrocyte hemolysis preinc...				ACS Med Chem Lett 7: 1092-1096 (2016) Article DOI: 10.1021/acsmedchemlett.6b00299 BindingDB Entry DOI: 10.7270/Q26T0PM3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50114809 (CHEMBL3608386) Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C24H19F5N6O/c1-14-10-33(13-30-14)21-7-5-15(9-18(21)26)19-11-35(32-31-19)22-8-6-16-17(25)3-2-4-20(16)34(23(22)36)12-24(27,28)29/h2-5,7,9-11,13,22H,6,8,12H2,1H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid be...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50114807 (CHEMBL3608385) Show SMILES Cc1cn(cn1)-c1ccc(cc1OCC(F)(F)F)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C26H21F7N6O2/c1-15-10-37(14-34-15)21-7-5-16(9-23(21)41-13-26(31,32)33)19-11-39(36-35-19)22-8-6-17-18(27)3-2-4-20(17)38(24(22)40)12-25(28,29)30/h2-5,7,9-11,14,22H,6,8,12-13H2,1H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid be...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50364033 (CHEMBL1224151) Show SMILES COc1cc(\C=C2/CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1 |r| Show InChI InChI=1S/C25H26FN3O2/c1-17-15-28(16-27-17)23-11-6-19(14-24(23)31-3)13-21-5-4-12-29(25(21)30)18(2)20-7-9-22(26)10-8-20/h6-11,13-16,18H,4-5,12H2,1-3H3/b21-13+/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in HEK293 cells expressing Swedish mutant APP assessed as inhibition of intracellular amyloid beta 42 production after ...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Complement factor D (Homo sapiens (Human))	BDBM50201566 (CHEMBL2220483) Show SMILES NC(=N)c1cc2ccc(OC(=O)c3cccs3)cc2s1 Show InChI InChI=1S/C14H10N2O2S2/c15-13(16)12-6-8-3-4-9(7-11(8)20-12)18-14(17)10-2-1-5-19-10/h1-7H,(H3,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to complement factor D (unknown origin)				ACS Med Chem Lett 7: 1092-1096 (2016) Article DOI: 10.1021/acsmedchemlett.6b00299 BindingDB Entry DOI: 10.7270/Q26T0PM3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50350777 (CHEMBL1818827) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2cc(Br)cc(Br)c2)nn1 Show InChI InChI=1S/C20H17Br2N5O/c1-13-9-26(12-23-13)19-4-3-15(7-20(19)28-2)18-11-27(25-24-18)10-14-5-16(21)8-17(22)6-14/h3-9,11-12H,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Boston Curated by ChEMBL					Assay Description Binding affinity to human ERG by radioligand displacement assay				Bioorg Med Chem Lett 21: 4083-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.089 BindingDB Entry DOI: 10.7270/Q2Z3201J
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50114837 (CHEMBL3609755) Show SMILES COc1c(F)c(ccc1-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O)-n1cnc(C)c1 |r| Show InChI InChI=1S/C25H21F5N6O2/c1-14-10-34(13-31-14)20-8-7-16(23(38-2)22(20)27)18-11-36(33-32-18)21-9-6-15-17(26)4-3-5-19(15)35(24(21)37)12-25(28,29)30/h3-5,7-8,10-11,13,21H,6,9,12H2,1-2H3/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid be...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50114803 (CHEMBL3608383) Show SMILES COc1cc(ccc1-n1cc(C)nc1C)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C26H24F4N6O2/c1-15-12-34(16(2)31-15)22-9-7-17(11-24(22)38-3)20-13-36(33-32-20)23-10-8-18-19(27)5-4-6-21(18)35(25(23)37)14-26(28,29)30/h4-7,9,11-13,23H,8,10,14H2,1-3H3/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid be...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50114801 (CHEMBL3608382) Show SMILES COc1cc(ccc1-n1ccnc1)-c1cn(nn1)C1CCc2c(F)cccc2N(CC(F)(F)F)C1=O Show InChI InChI=1S/C24H20F4N6O2/c1-36-22-11-15(5-7-20(22)32-10-9-29-14-32)18-12-34(31-30-18)21-8-6-16-17(25)3-2-4-19(16)33(23(21)35)13-24(26,27)28/h2-5,7,9-12,14,21H,6,8,13H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid be...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50114792 (CHEMBL2169963) Show SMILES CC(C)CC[C@@H](N1CC[C@@H](CC(O)=O)C[C@H]1c1ccc(cc1)C(F)(F)F)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H31ClF3NO2/c1-17(2)3-12-23(19-6-10-22(27)11-7-19)31-14-13-18(16-25(32)33)15-24(31)20-4-8-21(9-5-20)26(28,29)30/h4-11,17-18,23-24H,3,12-16H2,1-2H3,(H,32,33)/t18-,23-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in HEK293 cells transfected with APPsw-6myc assessed as inhibition of intracellular amyloid beta 42 production after 16...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50114793 (CHEMBL3608392) Show SMILES COc1cc(ccc1-c1cnn(C)c1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C25H22F4N6O2/c1-33-12-16(11-30-33)17-7-6-15(10-23(17)37-2)20-13-35(32-31-20)22-9-8-18-19(26)4-3-5-21(18)34(24(22)36)14-25(27,28)29/h3-7,10-13,22H,8-9,14H2,1-2H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid be...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50114800 (CHEMBL3609749) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C25H22F4N6O2/c1-15-11-33(14-30-15)21-8-6-16(10-23(21)37-2)19-12-35(32-31-19)22-9-7-17-18(26)4-3-5-20(17)34(24(22)36)13-25(27,28)29/h3-6,8,10-12,14,22H,7,9,13H2,1-2H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid be...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50114799 (CHEMBL3608395) Show SMILES Cc1cc(ccn1)C#Cc1cn(nn1)C1CCc2c(F)cccc2N(CC(F)(F)F)C1=O Show InChI InChI=1S/C22H17F4N5O/c1-14-11-15(9-10-27-14)5-6-16-12-31(29-28-16)20-8-7-17-18(23)3-2-4-19(17)30(21(20)32)13-22(24,25)26/h2-4,9-12,20H,7-8,13H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid be...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50114842 (CHEMBL3608390) Show SMILES COc1cc(cnc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C24H21F4N7O2/c1-14-10-33(13-30-14)22-21(37-2)8-15(9-29-22)18-11-35(32-31-18)20-7-6-16-17(25)4-3-5-19(16)34(23(20)36)12-24(26,27)28/h3-5,8-11,13,20H,6-7,12H2,1-2H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid be...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50114790 (CHEMBL2151284) Show SMILES CC(C)C[C@H](C(O)=O)c1cc(cc(c1)-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C26H22F6O2/c1-15(2)11-23(24(33)34)20-13-18(16-3-7-21(8-4-16)25(27,28)29)12-19(14-20)17-5-9-22(10-6-17)26(30,31)32/h3-10,12-15,23H,11H2,1-2H3,(H,33,34)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SKNBE-2 cells transfected with wild type APP assessed as inhibition of intracellular amyloid beta 42 productio...				Bioorg Med Chem Lett 25: 3495-500 (2015) Article DOI: 10.1016/j.bmcl.2015.06.032 BindingDB Entry DOI: 10.7270/Q2125VFP
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM50201564 (CHEMBL3890777) Show SMILES NC(=O)c1nn(CC(=O)N2CCS[C@H]2C(=O)Nc2cccc(Br)n2)c2ncccc12 |r| Show InChI InChI=1S/C18H16BrN7O3S/c19-11-4-1-5-12(22-11)23-17(29)18-25(7-8-30-18)13(27)9-26-16-10(3-2-6-21-16)14(24-26)15(20)28/h1-6,18H,7-9H2,(H2,20,28)(H,22,23,29)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	205	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human serum factor D-mediated complement activation in rabbit erythrocytes assessed as reduction in rabbit erythrocyte hemolysis preinc...				ACS Med Chem Lett 7: 1092-1096 (2016) Article DOI: 10.1021/acsmedchemlett.6b00299 BindingDB Entry DOI: 10.7270/Q26T0PM3
					More data for this Ligand-Target Pair				3D Structure (crystal)

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