Compile Data Set for Download or QSAR

Found 625 hits with Last Name = 'jacobsen' and Initial = 's'   

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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50097691 (CHEMBL3589596) Show SMILES COc1cccc(CNCCc2cc(OC)c(Br)cc2OC)c1O Show InChI InChI=1S/C18H22BrNO4/c1-22-15-6-4-5-13(18(15)21)11-20-8-7-12-9-17(24-3)14(19)10-16(12)23-2/h4-6,9-10,20-21H,7-8,11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50097677 (CHEMBL3589582) Show SMILES COc1cc(CCNCc2cccc3CCOc23)c(OC)cc1Br Show InChI InChI=1S/C19H22BrNO3/c1-22-17-11-16(20)18(23-2)10-14(17)6-8-21-12-15-5-3-4-13-7-9-24-19(13)15/h3-5,10-11,21H,6-9,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50097692 (CHEMBL3589597) Show SMILES COc1cccc(CNCCc2cc(OC)c(Br)cc2OC)c1 Show InChI InChI=1S/C18H22BrNO3/c1-21-15-6-4-5-13(9-15)12-20-8-7-14-10-18(23-3)16(19)11-17(14)22-2/h4-6,9-11,20H,7-8,12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.437	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50097673 (CHEMBL3589578) Show SMILES COc1cc(CCNCc2cccc3OCOc23)c(OC)cc1Br Show InChI InChI=1S/C18H20BrNO4/c1-21-16-9-14(19)17(22-2)8-12(16)6-7-20-10-13-4-3-5-15-18(13)24-11-23-15/h3-5,8-9,20H,6-7,10-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.603	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]-Ketanserin from human 5-HT2A receptor by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50097674 (CHEMBL3589579) Show SMILES COc1cc(CCNCc2cccc3ccoc23)c(OC)cc1Br Show InChI InChI=1S/C19H20BrNO3/c1-22-17-11-16(20)18(23-2)10-14(17)6-8-21-12-15-5-3-4-13-7-9-24-19(13)15/h3-5,7,9-11,21H,6,8,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.603	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50097693 (CHEMBL3589598) Show SMILES COc1cc(CCNCc2cccc(O)c2)c(OC)cc1Br Show InChI InChI=1S/C17H20BrNO3/c1-21-16-10-15(18)17(22-2)9-13(16)6-7-19-11-12-4-3-5-14(20)8-12/h3-5,8-10,19-20H,6-7,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50097675 (CHEMBL3589580) Show SMILES COc1cc(CCNCc2cccc3ccsc23)c(OC)cc1Br Show InChI InChI=1S/C19H20BrNO2S/c1-22-17-11-16(20)18(23-2)10-14(17)6-8-21-12-15-5-3-4-13-7-9-24-19(13)15/h3-5,7,9-11,21H,6,8,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50097674 (CHEMBL3589579) Show SMILES COc1cc(CCNCc2cccc3ccoc23)c(OC)cc1Br Show InChI InChI=1S/C19H20BrNO3/c1-22-17-11-16(20)18(23-2)10-14(17)6-8-21-12-15-5-3-4-13-7-9-24-19(13)15/h3-5,7,9-11,21H,6,8,12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50097686 (CHEMBL3589591) Show SMILES COc1cccc(CNCCc2cc(OC)c(Br)cc2OC)c1OC Show InChI InChI=1S/C30H31FN6O4/c1-30(28(38)37-13-15-39-16-14-37)18-40-27(41-19-30)26-35-24(21-7-9-22(31)10-8-21)25(36-26)23-11-12-32-29(34-23)33-17-20-5-3-2-4-6-20/h2-12,27H,13-19H2,1H3,(H,35,36)(H,32,33,34)/t27-,30-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50097690 (CHEMBL3589595) Show SMILES COc1cccc(CNCCc2cc(OC)c(Br)cc2OC)c1F Show InChI InChI=1S/C27H33FN6O5/c1-27(25(35)34-11-14-37-15-12-34)16-38-24(39-17-27)23-32-21(18-4-6-19(28)7-5-18)22(33-23)20-8-10-30-26(31-20)29-9-3-13-36-2/h4-8,10,24H,3,9,11-17H2,1-2H3,(H,32,33)(H,29,30,31)/t24-,27-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50097677 (CHEMBL3589582) Show SMILES COc1cc(CCNCc2cccc3CCOc23)c(OC)cc1Br Show InChI InChI=1S/C19H22BrNO3/c1-22-17-11-16(20)18(23-2)10-14(17)6-8-21-12-15-5-3-4-13-7-9-24-19(13)15/h3-5,10-11,21H,6-9,12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50097692 (CHEMBL3589597) Show SMILES COc1cccc(CNCCc2cc(OC)c(Br)cc2OC)c1 Show InChI InChI=1S/C18H22BrNO3/c1-21-15-6-4-5-13(9-15)12-20-8-7-14-10-18(23-3)16(19)11-17(14)22-2/h4-6,9-11,20H,7-8,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50097691 (CHEMBL3589596) Show SMILES COc1cccc(CNCCc2cc(OC)c(Br)cc2OC)c1O Show InChI InChI=1S/C18H22BrNO4/c1-22-15-6-4-5-13(18(15)21)11-20-8-7-12-9-17(24-3)14(19)10-16(12)23-2/h4-6,9-10,20-21H,7-8,11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50097675 (CHEMBL3589580) Show SMILES COc1cc(CCNCc2cccc3ccsc23)c(OC)cc1Br Show InChI InChI=1S/C19H20BrNO2S/c1-22-17-11-16(20)18(23-2)10-14(17)6-8-21-12-15-5-3-4-13-7-9-24-19(13)15/h3-5,7,9-11,21H,6,8,12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50097678 (CHEMBL3589583) Show SMILES COc1cc(CCNCc2cccc3nc[nH]c23)c(OC)cc1Br Show InChI InChI=1S/C18H20BrN3O2/c1-23-16-9-14(19)17(24-2)8-12(16)6-7-20-10-13-4-3-5-15-18(13)22-11-21-15/h3-5,8-9,11,20H,6-7,10H2,1-2H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50097678 (CHEMBL3589583) Show SMILES COc1cc(CCNCc2cccc3nc[nH]c23)c(OC)cc1Br Show InChI InChI=1S/C18H20BrN3O2/c1-23-16-9-14(19)17(24-2)8-12(16)6-7-20-10-13-4-3-5-15-18(13)22-11-21-15/h3-5,8-9,11,20H,6-7,10H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50097673 (CHEMBL3589578) Show SMILES COc1cc(CCNCc2cccc3OCOc23)c(OC)cc1Br Show InChI InChI=1S/C18H20BrNO4/c1-21-16-9-14(19)17(22-2)8-12(16)6-7-20-10-13-4-3-5-15-18(13)24-11-23-15/h3-5,8-9,20H,6-7,10-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]-Mesulergine from rat 5-HT2C receptor by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50097676 (CHEMBL3589581) Show SMILES COc1cc(CCNCc2cccc3ncoc23)c(OC)cc1Br Show InChI InChI=1S/C18H19BrN2O3/c1-22-16-9-14(19)17(23-2)8-12(16)6-7-20-10-13-4-3-5-15-18(13)24-11-21-15/h3-5,8-9,11,20H,6-7,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50097679 (CHEMBL3589584) Show SMILES COc1cc(CCNCc2cccc3cn[nH]c23)c(OC)cc1Br Show InChI InChI=1S/C18H20BrN3O2/c1-23-16-9-15(19)17(24-2)8-12(16)6-7-20-10-13-4-3-5-14-11-21-22-18(13)14/h3-5,8-9,11,20H,6-7,10H2,1-2H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50097680 (CHEMBL3589585) Show SMILES COc1cc(CCNCc2cccc3cc[nH]c23)c(OC)cc1Br Show InChI InChI=1S/C19H21BrN2O2/c1-23-17-11-16(20)18(24-2)10-14(17)6-8-21-12-15-5-3-4-13-7-9-22-19(13)15/h3-5,7,9-11,21-22H,6,8,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50097689 (CHEMBL3589594) Show SMILES COc1cccc(OC)c1CNCCc1cc(OC)c(Br)cc1OC Show InChI InChI=1S/C19H24BrNO4/c1-22-16-6-5-7-17(23-2)14(16)12-21-9-8-13-10-19(25-4)15(20)11-18(13)24-3/h5-7,10-11,21H,8-9,12H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50097687 (CHEMBL3589592) Show SMILES COc1ccc(CNCCc2cc(OC)c(Br)cc2OC)c(OC)c1 Show InChI InChI=1S/C19H24BrNO4/c1-22-15-6-5-14(17(10-15)23-2)12-21-8-7-13-9-19(25-4)16(20)11-18(13)24-3/h5-6,9-11,21H,7-8,12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50097693 (CHEMBL3589598) Show SMILES COc1cc(CCNCc2cccc(O)c2)c(OC)cc1Br Show InChI InChI=1S/C17H20BrNO3/c1-21-16-10-15(18)17(22-2)9-13(16)6-7-19-11-12-4-3-5-14(20)8-12/h3-5,8-10,19-20H,6-7,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50097686 (CHEMBL3589591) Show SMILES COc1cccc(CNCCc2cc(OC)c(Br)cc2OC)c1OC Show InChI InChI=1S/C30H31FN6O4/c1-30(28(38)37-13-15-39-16-14-37)18-40-27(41-19-30)26-35-24(21-7-9-22(31)10-8-21)25(36-26)23-11-12-32-29(34-23)33-17-20-5-3-2-4-6-20/h2-12,27H,13-19H2,1H3,(H,35,36)(H,32,33,34)/t27-,30-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50097679 (CHEMBL3589584) Show SMILES COc1cc(CCNCc2cccc3cn[nH]c23)c(OC)cc1Br Show InChI InChI=1S/C18H20BrN3O2/c1-23-16-9-15(19)17(24-2)8-12(16)6-7-20-10-13-4-3-5-14-11-21-22-18(13)14/h3-5,8-9,11,20H,6-7,10H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50097687 (CHEMBL3589592) Show SMILES COc1ccc(CNCCc2cc(OC)c(Br)cc2OC)c(OC)c1 Show InChI InChI=1S/C19H24BrNO4/c1-22-15-6-5-14(17(10-15)23-2)12-21-8-7-13-9-19(25-4)16(20)11-18(13)24-3/h5-6,9-11,21H,7-8,12H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50097688 (CHEMBL3589593) Show SMILES COc1ccc(OC)c(CNCCc2cc(OC)c(Br)cc2OC)c1 Show InChI InChI=1S/C19H24BrNO4/c1-22-15-5-6-17(23-2)14(9-15)12-21-8-7-13-10-19(25-4)16(20)11-18(13)24-3/h5-6,9-11,21H,7-8,12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50097676 (CHEMBL3589581) Show SMILES COc1cc(CCNCc2cccc3ncoc23)c(OC)cc1Br Show InChI InChI=1S/C18H19BrN2O3/c1-22-16-9-14(19)17(23-2)8-12(16)6-7-20-10-13-4-3-5-15-18(13)24-11-21-15/h3-5,8-9,11,20H,6-7,10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50097683 (CHEMBL3589588) Show SMILES COc1cc(CCNCc2ccccn2)c(OC)cc1Br Show InChI InChI=1S/C16H19BrN2O2/c1-20-15-10-14(17)16(21-2)9-12(15)6-8-18-11-13-5-3-4-7-19-13/h3-5,7,9-10,18H,6,8,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50097683 (CHEMBL3589588) Show SMILES COc1cc(CCNCc2ccccn2)c(OC)cc1Br Show InChI InChI=1S/C16H19BrN2O2/c1-20-15-10-14(17)16(21-2)9-12(15)6-8-18-11-13-5-3-4-7-19-13/h3-5,7,9-10,18H,6,8,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50097690 (CHEMBL3589595) Show SMILES COc1cccc(CNCCc2cc(OC)c(Br)cc2OC)c1F Show InChI InChI=1S/C27H33FN6O5/c1-27(25(35)34-11-14-37-15-12-34)16-38-24(39-17-27)23-32-21(18-4-6-19(28)7-5-18)22(33-23)20-8-10-30-26(31-20)29-9-3-13-36-2/h4-8,10,24H,3,9,11-17H2,1-2H3,(H,32,33)(H,29,30,31)/t24-,27-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50097680 (CHEMBL3589585) Show SMILES COc1cc(CCNCc2cccc3cc[nH]c23)c(OC)cc1Br Show InChI InChI=1S/C19H21BrN2O2/c1-23-17-11-16(20)18(24-2)10-14(17)6-8-21-12-15-5-3-4-13-7-9-22-19(13)15/h3-5,7,9-11,21-22H,6,8,12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50097682 (CHEMBL3589587) Show SMILES COc1cc(CCNCc2cccnc2OC)c(OC)cc1Br Show InChI InChI=1S/C17H21BrN2O3/c1-21-15-10-14(18)16(22-2)9-12(15)6-8-19-11-13-5-4-7-20-17(13)23-3/h4-5,7,9-10,19H,6,8,11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50097688 (CHEMBL3589593) Show SMILES COc1ccc(OC)c(CNCCc2cc(OC)c(Br)cc2OC)c1 Show InChI InChI=1S/C19H24BrNO4/c1-22-15-5-6-17(23-2)14(9-15)12-21-8-7-13-10-19(25-4)16(20)11-18(13)24-3/h5-6,9-11,21H,7-8,12H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50097682 (CHEMBL3589587) Show SMILES COc1cc(CCNCc2cccnc2OC)c(OC)cc1Br Show InChI InChI=1S/C17H21BrN2O3/c1-21-15-10-14(18)16(22-2)9-12(15)6-8-19-11-13-5-4-7-20-17(13)23-3/h4-5,7,9-10,19H,6,8,11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50097684 (CHEMBL3589589) Show SMILES COc1cc(CCNCc2cccnc2)c(OC)cc1Br Show InChI InChI=1S/C26H29FN6O4/c1-26(24(34)33-10-12-35-13-11-33)14-36-23(37-15-26)22-31-20(16-2-4-17(27)5-3-16)21(32-22)19-8-9-28-25(30-19)29-18-6-7-18/h2-5,8-9,18,23H,6-7,10-15H2,1H3,(H,31,32)(H,28,29,30)/t23-,26-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50097681 (CHEMBL3589586) Show SMILES COc1cc(CCNCc2ccc[nH]c2=O)c(OC)cc1Br Show InChI InChI=1S/C16H19BrN2O3/c1-21-14-9-13(17)15(22-2)8-11(14)5-7-18-10-12-4-3-6-19-16(12)20/h3-4,6,8-9,18H,5,7,10H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50097684 (CHEMBL3589589) Show SMILES COc1cc(CCNCc2cccnc2)c(OC)cc1Br Show InChI InChI=1S/C26H29FN6O4/c1-26(24(34)33-10-12-35-13-11-33)14-36-23(37-15-26)22-31-20(16-2-4-17(27)5-3-16)21(32-22)19-8-9-28-25(30-19)29-18-6-7-18/h2-5,8-9,18,23H,6-7,10-15H2,1H3,(H,31,32)(H,28,29,30)/t23-,26-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50097681 (CHEMBL3589586) Show SMILES COc1cc(CCNCc2ccc[nH]c2=O)c(OC)cc1Br Show InChI InChI=1S/C16H19BrN2O3/c1-21-14-9-13(17)15(22-2)8-11(14)5-7-18-10-12-4-3-6-19-16(12)20/h3-4,6,8-9,18H,5,7,10H2,1-2H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50097685 (CHEMBL3589590) Show SMILES COc1cc(CCNCc2ccncc2)c(OC)cc1Br Show InChI InChI=1S/C29H29FN6O4/c1-29(27(37)36-13-15-38-16-14-36)17-39-26(40-18-29)25-34-23(19-7-9-20(30)10-8-19)24(35-25)22-11-12-31-28(33-22)32-21-5-3-2-4-6-21/h2-12,26H,13-18H2,1H3,(H,34,35)(H,31,32,33)/t26-,29-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	141	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50097685 (CHEMBL3589590) Show SMILES COc1cc(CCNCc2ccncc2)c(OC)cc1Br Show InChI InChI=1S/C29H29FN6O4/c1-29(27(37)36-13-15-38-16-14-36)17-39-26(40-18-29)25-34-23(19-7-9-20(30)10-8-19)24(35-25)22-11-12-31-28(33-22)32-21-5-3-2-4-6-21/h2-12,26H,13-18H2,1H3,(H,34,35)(H,31,32,33)/t26-,29-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50097689 (CHEMBL3589594) Show SMILES COc1cccc(OC)c1CNCCc1cc(OC)c(Br)cc1OC Show InChI InChI=1S/C19H24BrNO4/c1-22-16-6-5-7-17(23-2)14(16)12-21-9-8-13-10-19(25-4)15(20)11-18(13)24-3/h5-7,10-11,21H,8-9,12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16047 ((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET based peptide cleavage assay				J Med Chem 53: 1146-58 (2010) Article DOI: 10.1021/jm901414e BindingDB Entry DOI: 10.7270/Q2SX6DBS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329554 ((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCO |r,c:3| Show InChI InChI=1S/C21H19F2N3O3/c1-26-18(28)21(25-20(26)24,15-8-10-17(11-9-15)29-19(22)23)16-7-4-6-14(13-16)5-2-3-12-27/h4,6-11,13,19,27H,3,12H2,1H3,(H2,24,25)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329546 ((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(3-...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCF |r,c:3| Show InChI InChI=1S/C20H16F3N3O2/c1-26-17(27)20(25-19(26)24,14-7-9-16(10-8-14)28-18(22)23)15-6-2-4-13(12-15)5-3-11-21/h2,4,6-10,12,18H,11H2,1H3,(H2,24,25)/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50303747 ((4S)-2-amino-4-(4-fluoro-3-(2-fluoropyridin-3-yl)p...) Show SMILES COc1ccc(cc1C)[C@]1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cccnc1F |r,t:11| Show InChI InChI=1S/C23H20F2N4O2/c1-13-11-14(7-9-19(13)31-3)23(21(30)29(2)22(26)28-23)15-6-8-18(24)17(12-15)16-5-4-10-27-20(16)25/h4-12H,1-3H3,(H2,26,28)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET based peptide cleavage assay				J Med Chem 53: 1146-58 (2010) Article DOI: 10.1021/jm901414e BindingDB Entry DOI: 10.7270/Q2SX6DBS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329556 ((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(6-...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCCCO |r,c:3| Show InChI InChI=1S/C23H23F2N3O3/c1-28-20(30)23(27-22(28)26,17-10-12-19(13-11-17)31-21(24)25)18-9-6-8-16(15-18)7-4-2-3-5-14-29/h6,8-13,15,21,29H,2-3,5,14H2,1H3,(H2,26,27)/t23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50303727 ((4R)-2-amino-4-(4-fluoro-3-(2-fluoropyridin-3-yl)p...) Show SMILES COc1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cccnc1F |r,t:11| Show InChI InChI=1S/C23H20F2N4O2/c1-13-11-14(7-9-19(13)31-3)23(21(30)29(2)22(26)28-23)15-6-8-18(24)17(12-15)16-5-4-10-27-20(16)25/h4-12H,1-3H3,(H2,26,28)/t23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329547 ((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCF |r,c:3| Show InChI InChI=1S/C21H18F3N3O2/c1-27-18(28)21(26-20(27)25,15-8-10-17(11-9-15)29-19(23)24)16-7-4-6-14(13-16)5-2-3-12-22/h4,6-11,13,19H,3,12H2,1H3,(H2,25,26)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50329558 ((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(4-flu...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(OCCCF)c1 |r,c:3| Show InChI InChI=1S/C20H19F4N3O3/c1-27-17(28)20(26-19(27)25,12-3-6-14(7-4-12)30-18(23)24)13-5-8-15(22)16(11-13)29-10-2-9-21/h3-8,11,18H,2,9-10H2,1H3,(H2,25,26)/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem Lett 20: 6597-605 (2010) Article DOI: 10.1016/j.bmcl.2010.09.029 BindingDB Entry DOI: 10.7270/Q2C829JF
					More data for this Ligand-Target Pair

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