Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'lankin' and Initial = 'dc'   

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-secretase 1 (Homo sapiens (Human))	BDBM16034 (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM16034 (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254744 (CHEMBL474057 | N8-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(cc2OCCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r| Show InChI InChI=1S/C33H39N3O4/c1-22(24-12-6-3-7-13-24)35-33(39)28-19-25(20-31-27(28)14-8-9-17-40-31)32(38)36-29(18-23-10-4-2-5-11-23)30(37)21-34-26-15-16-26/h2-7,10-13,19-20,22,26,29-30,34,37H,8-9,14-18,21H2,1H3,(H,35,39)(H,36,38)/t22-,29+,30-/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	56	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254714 (CHEMBL473854 | N7-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(cc2OCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r| Show InChI InChI=1S/C32H37N3O4/c1-21(23-11-6-3-7-12-23)34-32(38)27-18-24(19-30-26(27)13-8-16-39-30)31(37)35-28(17-22-9-4-2-5-10-22)29(36)20-33-25-14-15-25/h2-7,9-12,18-19,21,25,28-29,33,36H,8,13-17,20H2,1H3,(H,34,38)(H,35,37)/t21-,28+,29-/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	63	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254785 (CHEMBL464918 | N6-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc2OCCCCc2c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r| Show InChI InChI=1S/C33H39N3O4/c1-22(24-12-6-3-7-13-24)35-32(38)25-19-28(27-14-8-9-17-40-31(27)20-25)33(39)36-29(18-23-10-4-2-5-11-23)30(37)21-34-26-15-16-26/h2-7,10-13,19-20,22,26,29-30,34,37H,8-9,14-18,21H2,1H3,(H,35,38)(H,36,39)/t22-,29+,30-/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	89	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254784 (CHEMBL517179 | N5-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc2OCCCc2c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r| Show InChI InChI=1S/C32H37N3O4/c1-21(23-11-6-3-7-12-23)34-31(37)24-18-27(26-13-8-16-39-30(26)19-24)32(38)35-28(17-22-9-4-2-5-10-22)29(36)20-33-25-14-15-25/h2-7,9-12,18-19,21,25,28-29,33,36H,8,13-17,20H2,1H3,(H,34,37)(H,35,38)/t21-,28+,29-/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	112	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM16034 (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE2 expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50254711 (CHEMBL443087 | N-((1S,2R)-1-Benzyl-3-cyclopropylam...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N1CCCS1(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C32H38N4O5S/c1-22(24-11-6-3-7-12-24)34-31(38)25-18-26(20-28(19-25)36-15-8-16-42(36,40)41)32(39)35-29(17-23-9-4-2-5-10-23)30(37)21-33-27-13-14-27/h2-7,9-12,18-20,22,27,29-30,33,37H,8,13-17,21H2,1H3,(H,34,38)(H,35,39)/t22-,29+,30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE2 expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254712 (CHEMBL499468 | N-((1S,2R)-1-Benzyl-3-cyclopropylam...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N1CCCCS1(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C33H40N4O5S/c1-23(25-12-6-3-7-13-25)35-32(39)26-19-27(21-29(20-26)37-16-8-9-17-43(37,41)42)33(40)36-30(18-24-10-4-2-5-11-24)31(38)22-34-28-14-15-28/h2-7,10-13,19-21,23,28,30-31,34,38H,8-9,14-18,22H2,1H3,(H,35,39)(H,36,40)/t23-,30+,31-/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	158	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50254712 (CHEMBL499468 | N-((1S,2R)-1-Benzyl-3-cyclopropylam...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N1CCCCS1(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C33H40N4O5S/c1-23(25-12-6-3-7-13-25)35-32(39)26-19-27(21-29(20-26)37-16-8-9-17-43(37,41)42)33(40)36-30(18-24-10-4-2-5-11-24)31(38)22-34-28-14-15-28/h2-7,10-13,19-21,23,28,30-31,34,38H,8-9,14-18,22H2,1H3,(H,35,39)(H,36,40)/t23-,30+,31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE2 expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254746 (CHEMBL446879 | N8-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(cc2OCCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C33H38FN3O4/c1-21(23-10-12-25(34)13-11-23)36-33(40)28-18-24(19-31-27(28)9-5-6-16-41-31)32(39)37-29(17-22-7-3-2-4-8-22)30(38)20-35-26-14-15-26/h2-4,7-8,10-13,18-19,21,26,29-30,35,38H,5-6,9,14-17,20H2,1H3,(H,36,40)(H,37,39)/t21-,29+,30-/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	262	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254713 (CHEMBL514310 | N6-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(cc2oc(C)cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r| Show InChI InChI=1S/C32H35N3O4/c1-20-15-26-27(32(38)34-21(2)23-11-7-4-8-12-23)17-24(18-30(26)39-20)31(37)35-28(16-22-9-5-3-6-10-22)29(36)19-33-25-13-14-25/h3-12,15,17-18,21,25,28-29,33,36H,13-14,16,19H2,1-2H3,(H,34,38)(H,35,37)/t21-,28+,29-/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	524	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254745 (CHEMBL463864 | N7-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(cc2OCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C32H36FN3O4/c1-20(22-9-11-24(33)12-10-22)35-32(39)27-17-23(18-30-26(27)8-5-15-40-30)31(38)36-28(16-21-6-3-2-4-7-21)29(37)19-34-25-13-14-25/h2-4,6-7,9-12,17-18,20,25,28-29,34,37H,5,8,13-16,19H2,1H3,(H,35,39)(H,36,38)/t20-,28+,29-/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	740	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254708 (4'-Chloro-biphenyl-3,5-dicarboxylic acid 3-[((1S,2...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)-c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r| Show InChI InChI=1S/C35H36ClN3O3/c1-23(25-10-6-3-7-11-25)38-34(41)28-19-27(26-12-14-30(36)15-13-26)20-29(21-28)35(42)39-32(18-24-8-4-2-5-9-24)33(40)22-37-31-16-17-31/h2-15,19-21,23,31-33,37,40H,16-18,22H2,1H3,(H,38,41)(H,39,42)/t23-,32+,33-/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	811	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254667 (CHEMBL518294 | N1-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C#C)c1ccccc1 |r| Show InChI InChI=1S/C31H33N3O3/c1-3-22-16-25(30(36)33-21(2)24-12-8-5-9-13-24)19-26(17-22)31(37)34-28(18-23-10-6-4-7-11-23)29(35)20-32-27-14-15-27/h1,4-13,16-17,19,21,27-29,32,35H,14-15,18,20H2,2H3,(H,33,36)(H,34,37)/t21-,28+,29-/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	889	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254747 (CHEMBL463865 | N4-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)c2cc(C)oc2c1)c1ccccc1 |r| Show InChI InChI=1S/C32H35N3O4/c1-20-15-26-27(17-24(18-30(26)39-20)31(37)34-21(2)23-11-7-4-8-12-23)32(38)35-28(16-22-9-5-3-6-10-22)29(36)19-33-25-13-14-25/h3-12,15,17-18,21,25,28-29,33,36H,13-14,16,19H2,1-2H3,(H,34,37)(H,35,38)/t21-,28+,29-/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	998	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254709 (CHEMBL450801 | N1-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C#Cc1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C37H37N3O3/c1-26(30-15-9-4-10-16-30)39-36(42)31-21-29(18-17-27-11-5-2-6-12-27)22-32(24-31)37(43)40-34(23-28-13-7-3-8-14-28)35(41)25-38-33-19-20-33/h2-16,21-22,24,26,33-35,38,41H,19-20,23,25H2,1H3,(H,39,42)(H,40,43)/t26-,34+,35-/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	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254710 (5-(1-benzyl-1H-1,2,3-triazol-4-yl)-N1-((2S,3R)-4-(...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)-c1cn(Cc2ccccc2)nn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r| Show InChI InChI=1S/C38H40N6O3/c1-26(29-15-9-4-10-16-29)40-37(46)31-20-30(35-25-44(43-42-35)24-28-13-7-3-8-14-28)21-32(22-31)38(47)41-34(19-27-11-5-2-6-12-27)36(45)23-39-33-17-18-33/h2-16,20-22,25-26,33-34,36,39,45H,17-19,23-24H2,1H3,(H,40,46)(H,41,47)/t26-,34+,36-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254665 (CHEMBL482371 | N1-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(O)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r| Show InChI InChI=1S/C29H33N3O4/c1-19(21-10-6-3-7-11-21)31-28(35)22-15-23(17-25(33)16-22)29(36)32-26(14-20-8-4-2-5-9-20)27(34)18-30-24-12-13-24/h2-11,15-17,19,24,26-27,30,33-34H,12-14,18H2,1H3,(H,31,35)(H,32,36)/t19-,26+,27-/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	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254711 (CHEMBL443087 | N-((1S,2R)-1-Benzyl-3-cyclopropylam...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N1CCCS1(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C32H38N4O5S/c1-22(24-11-6-3-7-12-24)34-31(38)25-18-26(20-28(19-25)36-15-8-16-42(36,40)41)32(39)35-29(17-23-9-4-2-5-10-23)30(37)21-33-27-13-14-27/h2-7,9-12,18-20,22,27,29-30,33,37H,8,13-17,21H2,1H3,(H,34,38)(H,35,39)/t22-,29+,30-/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	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50254746 (CHEMBL446879 | N8-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(cc2OCCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C33H38FN3O4/c1-21(23-10-12-25(34)13-11-23)36-33(40)28-18-24(19-31-27(28)9-5-6-16-41-31)32(39)37-29(17-22-7-3-2-4-8-22)30(38)20-35-26-14-15-26/h2-4,7-8,10-13,18-19,21,26,29-30,35,38H,5-6,9,14-17,20H2,1H3,(H,36,40)(H,37,39)/t21-,29+,30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE2 expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50254745 (CHEMBL463864 | N7-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(cc2OCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C32H36FN3O4/c1-20(22-9-11-24(33)12-10-22)35-32(39)27-17-23(18-30-26(27)8-5-15-40-30)31(38)36-28(16-21-6-3-2-4-7-21)29(37)19-34-25-13-14-25/h2-4,6-7,9-12,17-18,20,25,28-29,34,37H,5,8,13-16,19H2,1H3,(H,35,39)(H,36,38)/t20-,28+,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE2 expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254707 (CHEMBL473652 | N1-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)-c1ccsc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r| Show InChI InChI=1S/C33H35N3O3S/c1-22(24-10-6-3-7-11-24)35-32(38)27-17-26(25-14-15-40-21-25)18-28(19-27)33(39)36-30(16-23-8-4-2-5-9-23)31(37)20-34-29-12-13-29/h2-11,14-15,17-19,21-22,29-31,34,37H,12-13,16,20H2,1H3,(H,35,38)(H,36,39)/t22-,30+,31-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50254666 (CHEMBL479421 | N1-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES COc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(=O)N[C@H](C)c1ccccc1 |r| Show InChI InChI=1S/C30H35N3O4/c1-20(22-11-7-4-8-12-22)32-29(35)23-16-24(18-26(17-23)37-2)30(36)33-27(15-21-9-5-3-6-10-21)28(34)19-31-25-13-14-25/h3-12,16-18,20,25,27-28,31,34H,13-15,19H2,1-2H3,(H,32,35)(H,33,36)/t20-,27+,28-/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	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50254710 (5-(1-benzyl-1H-1,2,3-triazol-4-yl)-N1-((2S,3R)-4-(...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)-c1cn(Cc2ccccc2)nn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r| Show InChI InChI=1S/C38H40N6O3/c1-26(29-15-9-4-10-16-29)40-37(46)31-20-30(35-25-44(43-42-35)24-28-13-7-3-8-14-28)21-32(22-31)38(47)41-34(19-27-11-5-2-6-12-27)36(45)23-39-33-17-18-33/h2-16,20-22,25-26,33-34,36,39,45H,17-19,23-24H2,1H3,(H,40,46)(H,41,47)/t26-,34+,36-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE2 expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50254709 (CHEMBL450801 | N1-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C#Cc1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C37H37N3O3/c1-26(30-15-9-4-10-16-30)39-36(42)31-21-29(18-17-27-11-5-2-6-12-27)22-32(24-31)37(43)40-34(23-28-13-7-3-8-14-28)35(41)25-38-33-19-20-33/h2-16,21-22,24,26,33-35,38,41H,19-20,23,25H2,1H3,(H,39,42)(H,40,43)/t26-,34+,35-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE2 expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50254708 (4'-Chloro-biphenyl-3,5-dicarboxylic acid 3-[((1S,2...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)-c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r| Show InChI InChI=1S/C35H36ClN3O3/c1-23(25-10-6-3-7-11-25)38-34(41)28-19-27(26-12-14-30(36)15-13-26)20-29(21-28)35(42)39-32(18-24-8-4-2-5-9-24)33(40)22-37-31-16-17-31/h2-15,19-21,23,31-33,37,40H,16-18,22H2,1H3,(H,38,41)(H,39,42)/t23-,32+,33-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE2 expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50254707 (CHEMBL473652 | N1-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)-c1ccsc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r| Show InChI InChI=1S/C33H35N3O3S/c1-22(24-10-6-3-7-11-24)35-32(38)27-17-26(25-14-15-40-21-25)18-28(19-27)33(39)36-30(16-23-8-4-2-5-9-23)31(37)20-34-29-12-13-29/h2-11,14-15,17-19,21-22,29-31,34,37H,12-13,16,20H2,1H3,(H,35,38)(H,36,39)/t22-,30+,31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE2 expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50254667 (CHEMBL518294 | N1-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C#C)c1ccccc1 |r| Show InChI InChI=1S/C31H33N3O3/c1-3-22-16-25(30(36)33-21(2)24-12-8-5-9-13-24)19-26(17-22)31(37)34-28(18-23-10-6-4-7-11-23)29(35)20-32-27-14-15-27/h1,4-13,16-17,19,21,27-29,32,35H,14-15,18,20H2,2H3,(H,33,36)(H,34,37)/t21-,28+,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE2 expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50254666 (CHEMBL479421 | N1-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES COc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(=O)N[C@H](C)c1ccccc1 |r| Show InChI InChI=1S/C30H35N3O4/c1-20(22-11-7-4-8-12-22)32-29(35)23-16-24(18-26(17-23)37-2)30(36)33-27(15-21-9-5-3-6-10-21)28(34)19-31-25-13-14-25/h3-12,16-18,20,25,27-28,31,34H,13-15,19H2,1-2H3,(H,32,35)(H,33,36)/t20-,27+,28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE2 expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50254744 (CHEMBL474057 | N8-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(cc2OCCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r| Show InChI InChI=1S/C33H39N3O4/c1-22(24-12-6-3-7-13-24)35-33(39)28-19-25(20-31-27(28)14-8-9-17-40-31)32(38)36-29(18-23-10-4-2-5-11-23)30(37)21-34-26-15-16-26/h2-7,10-13,19-20,22,26,29-30,34,37H,8-9,14-18,21H2,1H3,(H,35,39)(H,36,38)/t22-,29+,30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE2 expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50254747 (CHEMBL463865 | N4-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)c2cc(C)oc2c1)c1ccccc1 |r| Show InChI InChI=1S/C32H35N3O4/c1-20-15-26-27(17-24(18-30(26)39-20)31(37)34-21(2)23-11-7-4-8-12-23)32(38)35-28(16-22-9-5-3-6-10-22)29(36)19-33-25-13-14-25/h3-12,15,17-18,21,25,28-29,33,36H,13-14,16,19H2,1-2H3,(H,34,37)(H,35,38)/t21-,28+,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE2 expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50254784 (CHEMBL517179 | N5-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc2OCCCc2c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r| Show InChI InChI=1S/C32H37N3O4/c1-21(23-11-6-3-7-12-23)34-31(37)24-18-27(26-13-8-16-39-30(26)19-24)32(38)35-28(17-22-9-4-2-5-10-22)29(36)20-33-25-14-15-25/h2-7,9-12,18-19,21,25,28-29,33,36H,8,13-17,20H2,1H3,(H,34,37)(H,35,38)/t21-,28+,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE2 expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50254785 (CHEMBL464918 | N6-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc2OCCCCc2c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r| Show InChI InChI=1S/C33H39N3O4/c1-22(24-12-6-3-7-13-24)35-32(38)25-19-28(27-14-8-9-17-40-31(27)20-25)33(39)36-29(18-23-10-4-2-5-11-23)30(37)21-34-26-15-16-26/h2-7,10-13,19-20,22,26,29-30,34,37H,8-9,14-18,21H2,1H3,(H,35,38)(H,36,39)/t22-,29+,30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE2 expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50254665 (CHEMBL482371 | N1-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(O)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r| Show InChI InChI=1S/C29H33N3O4/c1-19(21-10-6-3-7-11-21)31-28(35)22-15-23(17-25(33)16-22)29(36)32-26(14-20-8-4-2-5-9-20)27(34)18-30-24-12-13-24/h2-11,15-17,19,24,26-27,30,33-34H,12-14,18H2,1H3,(H,31,35)(H,32,36)/t19-,26+,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE2 expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50254714 (CHEMBL473854 | N7-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(cc2OCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r| Show InChI InChI=1S/C32H37N3O4/c1-21(23-11-6-3-7-12-23)34-32(38)27-18-24(19-30-26(27)13-8-16-39-30)31(37)35-28(17-22-9-4-2-5-10-22)29(36)20-33-25-14-15-25/h2-7,9-12,18-19,21,25,28-29,33,36H,8,13-17,20H2,1H3,(H,34,38)(H,35,37)/t21-,28+,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE2 expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50254713 (CHEMBL514310 | N6-((2S,3R)-4-(cyclopropylamino)-3-...) Show SMILES C[C@@H](NC(=O)c1cc(cc2oc(C)cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r| Show InChI InChI=1S/C32H35N3O4/c1-20-15-26-27(32(38)34-21(2)23-11-7-4-8-12-23)17-24(18-30(26)39-20)31(37)35-28(16-22-9-5-3-6-10-22)29(36)19-33-25-13-14-25/h3-12,15,17-18,21,25,28-29,33,36H,13-14,16,19H2,1-2H3,(H,34,38)(H,35,37)/t21-,28+,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of BACE2 expressed in human 293T cells				Bioorg Med Chem Lett 19: 264-74 (2008) Article DOI: 10.1016/j.bmcl.2008.10.096 BindingDB Entry DOI: 10.7270/Q2ZP4606
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50240972 (5,7-Dihydroxy-2-(4-hydroxy-phenyl)-8-(3-methyl-but...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2c1oc(cc2=O)-c1ccc(-[#8])cc1 Show InChI InChI=1S/C20H18O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Estrogenic activity at ERalpha in human Ishikawa cells assessed as induction of alkaline phosphatase activity using p-nitrophenol as substrate treate...				J Nat Prod 81: 966-975 (2018) Article DOI: 10.1021/acs.jnatprod.7b01070 BindingDB Entry DOI: 10.7270/Q2DV1NKT
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.0300	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Estrogenic activity at ERbeta (unknown origin) expressed in human MDA-MB-231/beta41 cells after 18 hrs by renilla luciferase reporter gene assay				J Nat Prod 81: 966-975 (2018) Article DOI: 10.1021/acs.jnatprod.7b01070 BindingDB Entry DOI: 10.7270/Q2DV1NKT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.0300	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Estrogenic activity at ERalpha in human Ishikawa cells assessed as induction of alkaline phosphatase activity using p-nitrophenol as substrate treate...				J Nat Prod 81: 966-975 (2018) Article DOI: 10.1021/acs.jnatprod.7b01070 BindingDB Entry DOI: 10.7270/Q2DV1NKT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50106635 ((+/-)-2,3-bis(4-hydroxyphenyl)propanenitrile | 2,3...) Show SMILES Oc1ccc(CC(C#N)c2ccc(O)cc2)cc1 Show InChI InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	80	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Estrogenic activity at ERalpha in human Ishikawa cells assessed as induction of alkaline phosphatase activity using p-nitrophenol as substrate treate...				J Nat Prod 81: 966-975 (2018) Article DOI: 10.1021/acs.jnatprod.7b01070 BindingDB Entry DOI: 10.7270/Q2DV1NKT
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19460 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2-[#6](=O)-[#6]-[#6@H](-[#8]-c12)-c1ccc(-[#8])cc1 |r| Show InChI InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Estrogenic activity at ERalpha in human Ishikawa cells assessed as induction of alkaline phosphatase activity using p-nitrophenol as substrate treate...				J Nat Prod 81: 966-975 (2018) Article DOI: 10.1021/acs.jnatprod.7b01070 BindingDB Entry DOI: 10.7270/Q2DV1NKT
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50106635 ((+/-)-2,3-bis(4-hydroxyphenyl)propanenitrile | 2,3...) Show SMILES Oc1ccc(CC(C#N)c2ccc(O)cc2)cc1 Show InChI InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Estrogenic activity at ERbeta (unknown origin) expressed in human MDA-MB-231/beta41 cells after 18 hrs by renilla luciferase reporter gene assay				J Nat Prod 81: 966-975 (2018) Article DOI: 10.1021/acs.jnatprod.7b01070 BindingDB Entry DOI: 10.7270/Q2DV1NKT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM19460 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2-[#6](=O)-[#6]-[#6@H](-[#8]-c12)-c1ccc(-[#8])cc1 |r| Show InChI InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Estrogenic activity at ERbeta (unknown origin) expressed in human MDA-MB-231/beta41 cells after 18 hrs by renilla luciferase reporter gene assay				J Nat Prod 81: 966-975 (2018) Article DOI: 10.1021/acs.jnatprod.7b01070 BindingDB Entry DOI: 10.7270/Q2DV1NKT
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19459 (5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.40	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Estrogenic activity at ERbeta (unknown origin) expressed in human MDA-MB-231/beta41 cells after 18 hrs by renilla luciferase reporter gene assay				J Nat Prod 81: 966-975 (2018) Article DOI: 10.1021/acs.jnatprod.7b01070 BindingDB Entry DOI: 10.7270/Q2DV1NKT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50398935 (PROPYLPYRAZOLETRIOL) Show SMILES CCCc1c(nn(c1-c1ccc(O)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C24H22N2O3/c1-2-3-22-23(16-4-10-19(27)11-5-16)25-26(18-8-14-21(29)15-9-18)24(22)17-6-12-20(28)13-7-17/h4-15,27-29H,2-3H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Estrogenic activity at ERalpha in human Ishikawa cells assessed as induction of alkaline phosphatase activity using p-nitrophenol as substrate treate...				J Nat Prod 81: 966-975 (2018) Article DOI: 10.1021/acs.jnatprod.7b01070 BindingDB Entry DOI: 10.7270/Q2DV1NKT
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50240972 (5,7-Dihydroxy-2-(4-hydroxy-phenyl)-8-(3-methyl-but...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2c1oc(cc2=O)-c1ccc(-[#8])cc1 Show InChI InChI=1S/C20H18O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.5	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Estrogenic activity at ERbeta (unknown origin) expressed in human MDA-MB-231/beta41 cells after 18 hrs by renilla luciferase reporter gene assay				J Nat Prod 81: 966-975 (2018) Article DOI: 10.1021/acs.jnatprod.7b01070 BindingDB Entry DOI: 10.7270/Q2DV1NKT
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19459 (5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Estrogenic activity at ERalpha in human Ishikawa cells assessed as induction of alkaline phosphatase activity using p-nitrophenol as substrate treate...				J Nat Prod 81: 966-975 (2018) Article DOI: 10.1021/acs.jnatprod.7b01070 BindingDB Entry DOI: 10.7270/Q2DV1NKT
					More data for this Ligand-Target Pair				3D Structure (crystal)