Compile Data Set for Download or QSAR

Found 61 hits with Last Name = 'casebier' and Initial = 'd'   

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
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50378919 (CHEMBL2011218) Show SMILES O[C@@H](CNCCNC(=O)Nc1cccc(OCCF)c1)COc1ccccc1C#N |r| Show InChI InChI=1S/C21H25FN4O4/c22-8-11-29-19-6-3-5-17(12-19)26-21(28)25-10-9-24-14-18(27)15-30-20-7-2-1-4-16(20)13-23/h1-7,12,18,24,27H,8-11,14-15H2,(H2,25,26,28)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay				ACS Med Chem Lett 2: 650-655 (2011) Article DOI: 10.1021/ml1002458 BindingDB Entry DOI: 10.7270/Q25H7H8S
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50378927 (CHEMBL2011226) Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(I)nc1)COc1ccccc1C#N |r| Show InChI InChI=1S/C18H20IN5O3/c19-17-6-5-14(10-23-17)24-18(26)22-8-7-21-11-15(25)12-27-16-4-2-1-3-13(16)9-20/h1-6,10,15,21,25H,7-8,11-12H2,(H2,22,24,26)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay				ACS Med Chem Lett 2: 650-655 (2011) Article DOI: 10.1021/ml1002458 BindingDB Entry DOI: 10.7270/Q25H7H8S
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50378913 (CHEMBL2011227) Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(Br)nc1)COc1ccccc1C#N |r| Show InChI InChI=1S/C18H20BrN5O3/c19-17-6-5-14(10-23-17)24-18(26)22-8-7-21-11-15(25)12-27-16-4-2-1-3-13(16)9-20/h1-6,10,15,21,25H,7-8,11-12H2,(H2,22,24,26)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay				ACS Med Chem Lett 2: 650-655 (2011) Article DOI: 10.1021/ml1002458 BindingDB Entry DOI: 10.7270/Q25H7H8S
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50378917 (CHEMBL2011216) Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(OCCF)cc1)COc1ccccc1C#N |r| Show InChI InChI=1S/C21H25FN4O4/c22-9-12-29-19-7-5-17(6-8-19)26-21(28)25-11-10-24-14-18(27)15-30-20-4-2-1-3-16(20)13-23/h1-8,18,24,27H,9-12,14-15H2,(H2,25,26,28)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay				ACS Med Chem Lett 2: 650-655 (2011) Article DOI: 10.1021/ml1002458 BindingDB Entry DOI: 10.7270/Q25H7H8S
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50378925 (CHEMBL2011224) Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(OCCF)nc1)COc1ccccc1C#N |r| Show InChI InChI=1S/C20H24FN5O4/c21-7-10-29-19-6-5-16(12-25-19)26-20(28)24-9-8-23-13-17(27)14-30-18-4-2-1-3-15(18)11-22/h1-6,12,17,23,27H,7-10,13-14H2,(H2,24,26,28)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay				ACS Med Chem Lett 2: 650-655 (2011) Article DOI: 10.1021/ml1002458 BindingDB Entry DOI: 10.7270/Q25H7H8S
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50378916 (CHEMBL2011215) Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(F)cc1)COc1ccccc1C#N |r| Show InChI InChI=1S/C19H21FN4O3/c20-15-5-7-16(8-6-15)24-19(26)23-10-9-22-12-17(25)13-27-18-4-2-1-3-14(18)11-21/h1-8,17,22,25H,9-10,12-13H2,(H2,23,24,26)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay				ACS Med Chem Lett 2: 650-655 (2011) Article DOI: 10.1021/ml1002458 BindingDB Entry DOI: 10.7270/Q25H7H8S
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50378914 (CHEMBL2011213) Show SMILES COc1ccc(NC(=O)NCCNC[C@H](O)COc2ccccc2C#N)cc1 |r| Show InChI InChI=1S/C20H24N4O4/c1-27-18-8-6-16(7-9-18)24-20(26)23-11-10-22-13-17(25)14-28-19-5-3-2-4-15(19)12-21/h2-9,17,22,25H,10-11,13-14H2,1H3,(H2,23,24,26)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay				ACS Med Chem Lett 2: 650-655 (2011) Article DOI: 10.1021/ml1002458 BindingDB Entry DOI: 10.7270/Q25H7H8S
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50378935 (CHEMBL2011235) Show SMILES O[C@@H](CNCCNC(=O)Cc1ccc(F)cc1)COc1ccccc1C#N |r| Show InChI InChI=1S/C20H22FN3O3/c21-17-7-5-15(6-8-17)11-20(26)24-10-9-23-13-18(25)14-27-19-4-2-1-3-16(19)12-22/h1-8,18,23,25H,9-11,13-14H2,(H,24,26)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay				ACS Med Chem Lett 2: 650-655 (2011) Article DOI: 10.1021/ml1002458 BindingDB Entry DOI: 10.7270/Q25H7H8S
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50378915 (CHEMBL2011214) Show SMILES O[C@@H](CNCCNC(=O)Nc1ccccc1F)COc1ccccc1C#N |r| Show InChI InChI=1S/C19H21FN4O3/c20-16-6-2-3-7-17(16)24-19(26)23-10-9-22-12-15(25)13-27-18-8-4-1-5-14(18)11-21/h1-8,15,22,25H,9-10,12-13H2,(H2,23,24,26)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay				ACS Med Chem Lett 2: 650-655 (2011) Article DOI: 10.1021/ml1002458 BindingDB Entry DOI: 10.7270/Q25H7H8S
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50378918 (CHEMBL2011217) Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(OCCCF)cc1)COc1ccccc1C#N |r| Show InChI InChI=1S/C22H27FN4O4/c23-10-3-13-30-20-8-6-18(7-9-20)27-22(29)26-12-11-25-15-19(28)16-31-21-5-2-1-4-17(21)14-24/h1-2,4-9,19,25,28H,3,10-13,15-16H2,(H2,26,27,29)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay				ACS Med Chem Lett 2: 650-655 (2011) Article DOI: 10.1021/ml1002458 BindingDB Entry DOI: 10.7270/Q25H7H8S
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50378926 (CHEMBL2011225) Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(F)nc1)COc1ccccc1C#N |r| Show InChI InChI=1S/C18H20FN5O3/c19-17-6-5-14(10-23-17)24-18(26)22-8-7-21-11-15(25)12-27-16-4-2-1-3-13(16)9-20/h1-6,10,15,21,25H,7-8,11-12H2,(H2,22,24,26)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay				ACS Med Chem Lett 2: 650-655 (2011) Article DOI: 10.1021/ml1002458 BindingDB Entry DOI: 10.7270/Q25H7H8S
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50378928 (CHEMBL2011228) Show SMILES O[C@@H](CNCCNC(=O)Nc1cnc(Br)cn1)COc1ccccc1C#N |r| Show InChI InChI=1S/C17H19BrN6O3/c18-15-9-23-16(10-22-15)24-17(26)21-6-5-20-8-13(25)11-27-14-4-2-1-3-12(14)7-19/h1-4,9-10,13,20,25H,5-6,8,11H2,(H2,21,23,24,26)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay				ACS Med Chem Lett 2: 650-655 (2011) Article DOI: 10.1021/ml1002458 BindingDB Entry DOI: 10.7270/Q25H7H8S
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50378923 (CHEMBL2011222) Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(C(O)=O)c(F)c1)COc1ccccc1C#N |r| Show InChI InChI=1S/C20H21FN4O5/c21-17-9-14(5-6-16(17)19(27)28)25-20(29)24-8-7-23-11-15(26)12-30-18-4-2-1-3-13(18)10-22/h1-6,9,15,23,26H,7-8,11-12H2,(H,27,28)(H2,24,25,29)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay				ACS Med Chem Lett 2: 650-655 (2011) Article DOI: 10.1021/ml1002458 BindingDB Entry DOI: 10.7270/Q25H7H8S
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50378920 (CHEMBL2011219) Show SMILES CC(CF)Nc1ccc(NC(=O)NCCNC[C@H](O)COc2ccccc2C#N)cc1 |r| Show InChI InChI=1S/C22H28FN5O3/c1-16(12-23)27-18-6-8-19(9-7-18)28-22(30)26-11-10-25-14-20(29)15-31-21-5-3-2-4-17(21)13-24/h2-9,16,20,25,27,29H,10-12,14-15H2,1H3,(H2,26,28,30)/t16?,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay				ACS Med Chem Lett 2: 650-655 (2011) Article DOI: 10.1021/ml1002458 BindingDB Entry DOI: 10.7270/Q25H7H8S
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50378924 (CHEMBL2011223) Show SMILES CCOc1ccc(NC(=O)NCCNC[C@H](O)COc2cccc(F)c2C#N)cc1 |r| Show InChI InChI=1S/C21H25FN4O4/c1-2-29-17-8-6-15(7-9-17)26-21(28)25-11-10-24-13-16(27)14-30-20-5-3-4-19(22)18(20)12-23/h3-9,16,24,27H,2,10-11,13-14H2,1H3,(H2,25,26,28)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay				ACS Med Chem Lett 2: 650-655 (2011) Article DOI: 10.1021/ml1002458 BindingDB Entry DOI: 10.7270/Q25H7H8S
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50378922 (CHEMBL2011221) Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(cc1)C(O)=O)COc1cc(F)ccc1C#N |r| Show InChI InChI=1S/C20H21FN4O5/c21-15-4-1-14(10-22)18(9-15)30-12-17(26)11-23-7-8-24-20(29)25-16-5-2-13(3-6-16)19(27)28/h1-6,9,17,23,26H,7-8,11-12H2,(H,27,28)(H2,24,25,29)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay				ACS Med Chem Lett 2: 650-655 (2011) Article DOI: 10.1021/ml1002458 BindingDB Entry DOI: 10.7270/Q25H7H8S
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50378934 (CHEMBL2011234) Show SMILES O[C@@H](CNCCCC(=O)Nc1ccc(F)nc1)COc1ccccc1C#N |r| Show InChI InChI=1S/C19H21FN4O3/c20-18-8-7-15(11-23-18)24-19(26)6-3-9-22-12-16(25)13-27-17-5-2-1-4-14(17)10-21/h1-2,4-5,7-8,11,16,22,25H,3,6,9,12-13H2,(H,24,26)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay				ACS Med Chem Lett 2: 650-655 (2011) Article DOI: 10.1021/ml1002458 BindingDB Entry DOI: 10.7270/Q25H7H8S
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50378936 (CHEMBL2011236) Show SMILES O[C@@H](CNCCNS(=O)(=O)c1ccccc1F)COc1ccccc1C#N |r| Show InChI InChI=1S/C18H20FN3O4S/c19-16-6-2-4-8-18(16)27(24,25)22-10-9-21-12-15(23)13-26-17-7-3-1-5-14(17)11-20/h1-8,15,21-23H,9-10,12-13H2/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay				ACS Med Chem Lett 2: 650-655 (2011) Article DOI: 10.1021/ml1002458 BindingDB Entry DOI: 10.7270/Q25H7H8S
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50378930 (CHEMBL2011230) Show SMILES O[C@@H](CNCCNC(=O)Nc1nnn(CCF)n1)COc1ccccc1C#N |r| Show InChI InChI=1S/C16H21FN8O3/c17-5-8-25-23-15(22-24-25)21-16(27)20-7-6-19-10-13(26)11-28-14-4-2-1-3-12(14)9-18/h1-4,13,19,26H,5-8,10-11H2,(H2,20,21,23,27)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay				ACS Med Chem Lett 2: 650-655 (2011) Article DOI: 10.1021/ml1002458 BindingDB Entry DOI: 10.7270/Q25H7H8S
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50378933 (CHEMBL2011233) Show SMILES O[C@@H](CNCCNC(=O)c1ccc(F)nc1)COc1ccccc1C#N |r| Show InChI InChI=1S/C18H19FN4O3/c19-17-6-5-14(10-23-17)18(25)22-8-7-21-11-15(24)12-26-16-4-2-1-3-13(16)9-20/h1-6,10,15,21,24H,7-8,11-12H2,(H,22,25)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay				ACS Med Chem Lett 2: 650-655 (2011) Article DOI: 10.1021/ml1002458 BindingDB Entry DOI: 10.7270/Q25H7H8S
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50378932 (CHEMBL2011232) Show SMILES O[C@@H](CNCCNC(=O)N1CCOCC1)COc1ccccc1C#N |r| Show InChI InChI=1S/C17H24N4O4/c18-11-14-3-1-2-4-16(14)25-13-15(22)12-19-5-6-20-17(23)21-7-9-24-10-8-21/h1-4,15,19,22H,5-10,12-13H2,(H,20,23)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay				ACS Med Chem Lett 2: 650-655 (2011) Article DOI: 10.1021/ml1002458 BindingDB Entry DOI: 10.7270/Q25H7H8S
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50378921 (CHEMBL2011220) Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(cc1)C(O)=O)COc1cccc(F)c1C#N |r| Show InChI InChI=1S/C20H21FN4O5/c21-17-2-1-3-18(16(17)10-22)30-12-15(26)11-23-8-9-24-20(29)25-14-6-4-13(5-7-14)19(27)28/h1-7,15,23,26H,8-9,11-12H2,(H,27,28)(H2,24,25,29)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay				ACS Med Chem Lett 2: 650-655 (2011) Article DOI: 10.1021/ml1002458 BindingDB Entry DOI: 10.7270/Q25H7H8S
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50378929 (CHEMBL2011229) Show SMILES O[C@@H](CNCCNC(=O)Nc1nccs1)COc1ccccc1C#N |r| Show InChI InChI=1S/C16H19N5O3S/c17-9-12-3-1-2-4-14(12)24-11-13(22)10-18-5-6-19-15(23)21-16-20-7-8-25-16/h1-4,7-8,13,18,22H,5-6,10-11H2,(H2,19,20,21,23)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay				ACS Med Chem Lett 2: 650-655 (2011) Article DOI: 10.1021/ml1002458 BindingDB Entry DOI: 10.7270/Q25H7H8S
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50378931 (CHEMBL2011231) Show SMILES O[C@@H](CNCCNC(=O)NC1CCN(CCF)CC1)COc1ccccc1C#N |r| Show InChI InChI=1S/C20H30FN5O3/c21-7-12-26-10-5-17(6-11-26)25-20(28)24-9-8-23-14-18(27)15-29-19-4-2-1-3-16(19)13-22/h1-4,17-18,23,27H,5-12,14-15H2,(H2,24,25,28)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay				ACS Med Chem Lett 2: 650-655 (2011) Article DOI: 10.1021/ml1002458 BindingDB Entry DOI: 10.7270/Q25H7H8S
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28949 (1-(4-chlorophenyl)-3-[(2S,3S)-1-hydroxy-3-methylpe...) Show SMILES CC[C@H](C)[C@@H](CO)NC(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C13H19ClN2O2/c1-3-9(2)12(8-17)16-13(18)15-11-6-4-10(14)5-7-11/h4-7,9,12,17H,3,8H2,1-2H3,(H2,15,16,18)/t9-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.73E+4	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...				Bioorg Med Chem Lett 18: 4232-6 (2008) Article DOI: 10.1016/j.bmcl.2008.05.064 BindingDB Entry DOI: 10.7270/Q26Q1VJM
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28951 ((2S)-N-(4-chlorophenyl)-1-hydroxybutane-2-sulfonam...) Show SMILES CC[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C10H14ClNO3S/c1-2-9(7-13)12-16(14,15)10-5-3-8(11)4-6-10/h3-6,9,12-13H,2,7H2,1H3/t9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...				Bioorg Med Chem Lett 18: 4232-6 (2008) Article DOI: 10.1016/j.bmcl.2008.05.064 BindingDB Entry DOI: 10.7270/Q26Q1VJM
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28953 ((2S)-N-(4-chlorophenyl)-1-hydroxy-3,3-dimethylbuta...) Show SMILES CC(C)(C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C12H18ClNO3S/c1-12(2,3)11(8-15)14-18(16,17)10-6-4-9(13)5-7-10/h4-7,11,14-15H,8H2,1-3H3/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.91E+4	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...				Bioorg Med Chem Lett 18: 4232-6 (2008) Article DOI: 10.1016/j.bmcl.2008.05.064 BindingDB Entry DOI: 10.7270/Q26Q1VJM
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28954 ((2S)-N-(4-chlorophenyl)-1-hydroxy-4-methylpentane-...) Show SMILES CC(C)C[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C12H18ClNO3S/c1-9(2)7-11(8-15)14-18(16,17)12-5-3-10(13)4-6-12/h3-6,9,11,14-15H,7-8H2,1-2H3/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.53E+4	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...				Bioorg Med Chem Lett 18: 4232-6 (2008) Article DOI: 10.1016/j.bmcl.2008.05.064 BindingDB Entry DOI: 10.7270/Q26Q1VJM
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28956 ((1S)-N-(4-chlorophenyl)-1-cyclohexyl-2-hydroxyetha...) Show SMILES OC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C1CCCCC1 |r| Show InChI InChI=1S/C14H20ClNO3S/c15-12-6-8-13(9-7-12)20(18,19)16-14(10-17)11-4-2-1-3-5-11/h6-9,11,14,16-17H,1-5,10H2/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...				Bioorg Med Chem Lett 18: 4232-6 (2008) Article DOI: 10.1016/j.bmcl.2008.05.064 BindingDB Entry DOI: 10.7270/Q26Q1VJM
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28959 ((3S,4S)-N-(4-chlorophenyl)-2-hydroxy-2,4-dimethylh...) Show SMILES CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)(C)O |r| Show InChI InChI=1S/C14H22ClNO3S/c1-5-10(2)13(14(3,4)17)16-20(18,19)12-8-6-11(15)7-9-12/h6-10,13,16-17H,5H2,1-4H3/t10-,13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...				Bioorg Med Chem Lett 18: 4232-6 (2008) Article DOI: 10.1016/j.bmcl.2008.05.064 BindingDB Entry DOI: 10.7270/Q26Q1VJM
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28961 (CHEMBL180641 | ethyl 4-[(4-chlorobenzene)sulfonyl]...) Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H22ClNO4S/c1-2-26-19(23)22-14-12-20(13-15-22,16-6-4-3-5-7-16)27(24,25)18-10-8-17(21)9-11-18/h3-11H,2,12-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.22E+4	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...				Bioorg Med Chem Lett 18: 4232-6 (2008) Article DOI: 10.1016/j.bmcl.2008.05.064 BindingDB Entry DOI: 10.7270/Q26Q1VJM
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28928 ((2S,3S)-N-(3-chlorophenyl)-1-hydroxy-3-methylpenta...) Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C12H18ClNO3S/c1-3-9(2)12(8-15)14-18(16,17)11-6-4-5-10(13)7-11/h4-7,9,12,14-15H,3,8H2,1-2H3/t9-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.83E+4	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...				Bioorg Med Chem Lett 18: 4232-6 (2008) Article DOI: 10.1016/j.bmcl.2008.05.064 BindingDB Entry DOI: 10.7270/Q26Q1VJM
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28930 ((2S,3S)-N-(4-fluorophenyl)-1-hydroxy-3-methylpenta...) Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C12H18FNO3S/c1-3-9(2)12(8-15)14-18(16,17)11-6-4-10(13)5-7-11/h4-7,9,12,14-15H,3,8H2,1-2H3/t9-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.24E+3	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...				Bioorg Med Chem Lett 18: 4232-6 (2008) Article DOI: 10.1016/j.bmcl.2008.05.064 BindingDB Entry DOI: 10.7270/Q26Q1VJM
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28931 ((2S,3S)-N-(4-cyanophenyl)-1-hydroxy-3-methylpentan...) Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C13H18N2O3S/c1-3-10(2)13(9-16)15-19(17,18)12-6-4-11(8-14)5-7-12/h4-7,10,13,15-16H,3,9H2,1-2H3/t10-,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...				Bioorg Med Chem Lett 18: 4232-6 (2008) Article DOI: 10.1016/j.bmcl.2008.05.064 BindingDB Entry DOI: 10.7270/Q26Q1VJM
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28933 ((2S,3S)-1-hydroxy-3-methyl-N-[4-(trifluoromethyl)p...) Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C13H18F3NO3S/c1-3-9(2)12(8-18)17-21(19,20)11-6-4-10(5-7-11)13(14,15)16/h4-7,9,12,17-18H,3,8H2,1-2H3/t9-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.31E+4	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...				Bioorg Med Chem Lett 18: 4232-6 (2008) Article DOI: 10.1016/j.bmcl.2008.05.064 BindingDB Entry DOI: 10.7270/Q26Q1VJM
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28935 ((2S,3S)-1-hydroxy-N-(4-methanesulfonylphenyl)-3-me...) Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C13H21NO5S2/c1-4-10(2)13(9-15)14-21(18,19)12-7-5-11(6-8-12)20(3,16)17/h5-8,10,13-15H,4,9H2,1-3H3/t10-,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...				Bioorg Med Chem Lett 18: 4232-6 (2008) Article DOI: 10.1016/j.bmcl.2008.05.064 BindingDB Entry DOI: 10.7270/Q26Q1VJM
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28947 ((2S,3S)-2-{[(4-chlorophenyl)methyl]amino}-3-methyl...) Show SMILES CC[C@H](C)[C@@H](CO)NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C13H20ClNO/c1-3-10(2)13(9-16)15-8-11-4-6-12(14)7-5-11/h4-7,10,13,15-16H,3,8-9H2,1-2H3/t10-,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...				Bioorg Med Chem Lett 18: 4232-6 (2008) Article DOI: 10.1016/j.bmcl.2008.05.064 BindingDB Entry DOI: 10.7270/Q26Q1VJM
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28938 ((2S,3S)-N-(3,4-dichlorophenyl)-1-hydroxy-3-methylp...) Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C12H17Cl2NO3S/c1-3-8(2)12(7-16)15-19(17,18)9-4-5-10(13)11(14)6-9/h4-6,8,12,15-16H,3,7H2,1-2H3/t8-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...				Bioorg Med Chem Lett 18: 4232-6 (2008) Article DOI: 10.1016/j.bmcl.2008.05.064 BindingDB Entry DOI: 10.7270/Q26Q1VJM
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28936 ((2S,3S)-1-hydroxy-3-methyl-N-(4-nitrophenyl)pentan...) Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C12H18N2O5S/c1-3-9(2)12(8-15)13-20(18,19)11-6-4-10(5-7-11)14(16)17/h4-7,9,12-13,15H,3,8H2,1-2H3/t9-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.09E+4	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...				Bioorg Med Chem Lett 18: 4232-6 (2008) Article DOI: 10.1016/j.bmcl.2008.05.064 BindingDB Entry DOI: 10.7270/Q26Q1VJM
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28934 ((2S,3S)-N-(4-acetylphenyl)-1-hydroxy-3-methylpenta...) Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(cc1)C(C)=O |r| Show InChI InChI=1S/C14H21NO4S/c1-4-10(2)14(9-16)15-20(18,19)13-7-5-12(6-8-13)11(3)17/h5-8,10,14-16H,4,9H2,1-3H3/t10-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.02E+3	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...				Bioorg Med Chem Lett 18: 4232-6 (2008) Article DOI: 10.1016/j.bmcl.2008.05.064 BindingDB Entry DOI: 10.7270/Q26Q1VJM
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28932 ((2S,3S)-1-hydroxy-3-methyl-N-(4-methylphenyl)penta...) Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C13H21NO3S/c1-4-11(3)13(9-15)14-18(16,17)12-7-5-10(2)6-8-12/h5-8,11,13-15H,4,9H2,1-3H3/t11-,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.43E+4	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...				Bioorg Med Chem Lett 18: 4232-6 (2008) Article DOI: 10.1016/j.bmcl.2008.05.064 BindingDB Entry DOI: 10.7270/Q26Q1VJM
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28921 ((2S,3S)-N-(4-bromophenyl)-1-hydroxy-3-methylpentan...) Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C12H18BrNO3S/c1-3-9(2)12(8-15)14-18(16,17)11-6-4-10(13)5-7-11/h4-7,9,12,14-15H,3,8H2,1-2H3/t9-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.21E+3	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...				Bioorg Med Chem Lett 18: 4232-6 (2008) Article DOI: 10.1016/j.bmcl.2008.05.064 BindingDB Entry DOI: 10.7270/Q26Q1VJM
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28929 ((2S,3S)-N-(2-chlorophenyl)-1-hydroxy-3-methylpenta...) Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccccc1Cl |r| Show InChI InChI=1S/C12H18ClNO3S/c1-3-9(2)11(8-15)14-18(16,17)12-7-5-4-6-10(12)13/h4-7,9,11,14-15H,3,8H2,1-2H3/t9-,11+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.66E+4	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...				Bioorg Med Chem Lett 18: 4232-6 (2008) Article DOI: 10.1016/j.bmcl.2008.05.064 BindingDB Entry DOI: 10.7270/Q26Q1VJM
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28920 ((2S,3S)-N-(4-chlorophenyl)-1-hydroxy-3-methylpenta...) Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C12H18ClNO3S/c1-3-9(2)12(8-15)14-18(16,17)11-6-4-10(13)5-7-11/h4-7,9,12,14-15H,3,8H2,1-2H3/t9-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	5.45E+3	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...				Bioorg Med Chem Lett 18: 4232-6 (2008) Article DOI: 10.1016/j.bmcl.2008.05.064 BindingDB Entry DOI: 10.7270/Q26Q1VJM
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28960 ((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...) Show SMILES CCCNC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H24Cl2N2O5S/c1-3-10-23-20(26)29-13-14(2)24(19-11-17(22)5-4-15(19)12-25)30(27,28)18-8-6-16(21)7-9-18/h4-9,11,14,25H,3,10,12-13H2,1-2H3,(H,23,26)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	85	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...				Bioorg Med Chem Lett 18: 4232-6 (2008) Article DOI: 10.1016/j.bmcl.2008.05.064 BindingDB Entry DOI: 10.7270/Q26Q1VJM
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28958 ((3S,4S)-N-(4-chlorophenyl)-2-hydroxy-4-methylhexan...) Show SMILES CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)O |r| Show InChI InChI=1S/C13H20ClNO3S/c1-4-9(2)13(10(3)16)15-19(17,18)12-7-5-11(14)6-8-12/h5-10,13,15-16H,4H2,1-3H3/t9-,10?,13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.93E+4	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...				Bioorg Med Chem Lett 18: 4232-6 (2008) Article DOI: 10.1016/j.bmcl.2008.05.064 BindingDB Entry DOI: 10.7270/Q26Q1VJM
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28957 ((1S)-N-(4-chlorophenyl)-2-hydroxy-1-phenylethane-1...) Show SMILES OC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C14H14ClNO3S/c15-12-6-8-13(9-7-12)20(18,19)16-14(10-17)11-4-2-1-3-5-11/h1-9,14,16-17H,10H2/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.88E+4	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...				Bioorg Med Chem Lett 18: 4232-6 (2008) Article DOI: 10.1016/j.bmcl.2008.05.064 BindingDB Entry DOI: 10.7270/Q26Q1VJM
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28955 ((2S,3R)-N-(4-chlorophenyl)-1-hydroxy-3-methylpenta...) Show SMILES CC[C@@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C12H18ClNO3S/c1-3-9(2)12(8-15)14-18(16,17)11-6-4-10(13)5-7-11/h4-7,9,12,14-15H,3,8H2,1-2H3/t9-,12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	758	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...				Bioorg Med Chem Lett 18: 4232-6 (2008) Article DOI: 10.1016/j.bmcl.2008.05.064 BindingDB Entry DOI: 10.7270/Q26Q1VJM
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28923 ((2S)-N-(4-chlorophenyl)-3-ethyl-1-hydroxypentane-2...) Show SMILES CCC(CC)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C13H20ClNO3S/c1-3-10(4-2)13(9-16)15-19(17,18)12-7-5-11(14)6-8-12/h5-8,10,13,15-16H,3-4,9H2,1-2H3/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	294	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...				Bioorg Med Chem Lett 18: 4232-6 (2008) Article DOI: 10.1016/j.bmcl.2008.05.064 BindingDB Entry DOI: 10.7270/Q26Q1VJM
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Homo sapiens (Human))	BDBM28952 ((2S)-N-(4-chlorophenyl)-1-hydroxy-3-methylbutane-2...) Show SMILES CC(C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C11H16ClNO3S/c1-8(2)11(7-14)13-17(15,16)10-5-3-9(12)4-6-10/h3-6,8,11,13-14H,7H2,1-2H3/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.58E+3	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...				Bioorg Med Chem Lett 18: 4232-6 (2008) Article DOI: 10.1016/j.bmcl.2008.05.064 BindingDB Entry DOI: 10.7270/Q26Q1VJM
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 61 total )  |  Next  |  Last  >>

Jump to: