Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'bermejo-bescós' and Initial = 'p'   

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))	BDBM50340581 (2-Phenyl-5-(4-trifluoromethylphenyl)-1,4-benzoquin...) Show SMILES FC(F)(F)c1ccc(cc1)C1=CC(=O)C(=CC1=O)c1ccccc1 |c:15,t:11| Show InChI InChI=1S/C19H11F3O2/c20-19(21,22)14-8-6-13(7-9-14)16-11-17(23)15(10-18(16)24)12-4-2-1-3-5-12/h1-11H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 preincubated after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 2183-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.023 BindingDB Entry DOI: 10.7270/Q2JS9QRG
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50340582 (2-(4-hydroxyphenyl)naphthalene-1,4-dione | CHEMBL1...) Show SMILES Oc1ccc(cc1)C1=CC(=O)c2ccccc2C1=O |t:8| Show InChI InChI=1S/C16H10O3/c17-11-7-5-10(6-8-11)14-9-15(18)12-3-1-2-4-13(12)16(14)19/h1-9,17H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 preincubated after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 2183-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.023 BindingDB Entry DOI: 10.7270/Q2JS9QRG
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50340583 (8-hydroxy-2-phenylnaphthalene-1,4-dione | CHEMBL17...) Show SMILES Oc1cccc2C(=O)C=C(C(=O)c12)c1ccccc1 |c:8| Show InChI InChI=1S/C16H10O3/c17-13-8-4-7-11-14(18)9-12(16(19)15(11)13)10-5-2-1-3-6-10/h1-9,17H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 preincubated after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 2183-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.023 BindingDB Entry DOI: 10.7270/Q2JS9QRG
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50340584 (3''-Methoxy-[1,1';3'1'']terphenyl-2',5'-diol | CHE...) Show SMILES COc1ccc(cc1)-c1cc(O)cc(c1O)-c1ccccc1 Show InChI InChI=1S/C19H16O3/c1-22-16-9-7-14(8-10-16)18-12-15(20)11-17(19(18)21)13-5-3-2-4-6-13/h2-12,20-21H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 preincubated after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 2183-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.023 BindingDB Entry DOI: 10.7270/Q2JS9QRG
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50340585 (2-phenylnaphthalene-1,4-dione | CHEMBL1762552) Show SMILES O=C1C=C(C(=O)c2ccccc12)c1ccccc1 |c:2| Show InChI InChI=1S/C16H10O2/c17-15-10-14(11-6-2-1-3-7-11)16(18)13-9-5-4-8-12(13)15/h1-10H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 preincubated after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 2183-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.023 BindingDB Entry DOI: 10.7270/Q2JS9QRG
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50340586 (2-(4-hydroxyphenyl)-8-methoxynaphthalene-1,4-dione...) Show SMILES COc1cccc2C(=O)C=C(C(=O)c12)c1ccc(O)cc1 |c:9| Show InChI InChI=1S/C17H12O4/c1-21-15-4-2-3-12-14(19)9-13(17(20)16(12)15)10-5-7-11(18)8-6-10/h2-9,18H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 preincubated after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 2183-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.023 BindingDB Entry DOI: 10.7270/Q2JS9QRG
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50340587 (Acetic acid 5'-acetoxy-4''-methoxy-[1,1';3',1'']te...) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)cc(c1OC(C)=O)-c1ccccc1 Show InChI InChI=1S/C23H20O5/c1-15(24)27-20-13-21(17-7-5-4-6-8-17)23(28-16(2)25)22(14-20)18-9-11-19(26-3)12-10-18/h4-14H,1-3H3	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 preincubated after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 2183-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.023 BindingDB Entry DOI: 10.7270/Q2JS9QRG
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50340588 (5-methoxy-2-(4-methoxyphenyl)naphthalene-1,4-dione...) Show SMILES COc1ccc(cc1)C1=CC(=O)c2c(OC)cccc2C1=O |t:9| Show InChI InChI=1S/C18H14O4/c1-21-12-8-6-11(7-9-12)14-10-15(19)17-13(18(14)20)4-3-5-16(17)22-2/h3-10H,1-2H3	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 preincubated after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 2183-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.023 BindingDB Entry DOI: 10.7270/Q2JS9QRG
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50340589 (4-Acetoxy-1-hydroxy-2-(4-methoxyphenyl)-6-phenylbe...) Show SMILES COc1ccc(cc1)-c1cc(O)cc(-c2ccccc2)c1OC(C)=O Show InChI InChI=1S/C21H18O4/c1-14(22)25-21-19(15-6-4-3-5-7-15)12-17(23)13-20(21)16-8-10-18(24-2)11-9-16/h3-13,23H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 preincubated after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 2183-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.023 BindingDB Entry DOI: 10.7270/Q2JS9QRG
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50340590 (2,6-Diphenyl-1,4-benzoquinone | CHEMBL1762679) Show SMILES O=C1C=C(C(=O)C(=C1)c1ccccc1)c1ccccc1 |c:2,6| Show InChI InChI=1S/C18H12O2/c19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14/h1-12H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 preincubated after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 2183-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.023 BindingDB Entry DOI: 10.7270/Q2JS9QRG
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50340591 (Acetic acid 5'-acetoxy-4-trifluoromethyl-[1,1';4',...) Show SMILES CC(=O)Oc1cc(c(OC(C)=O)cc1-c1ccccc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H17F3O4/c1-14(27)29-21-13-20(17-8-10-18(11-9-17)23(24,25)26)22(30-15(2)28)12-19(21)16-6-4-3-5-7-16/h3-13H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 preincubated after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 2183-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.023 BindingDB Entry DOI: 10.7270/Q2JS9QRG
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50340592 (5-hydroxy-2-phenylnaphthalene-1,4-dione | CHEMBL17...) Show SMILES Oc1cccc2C(=O)C(=CC(=O)c12)c1ccccc1 |c:8| Show InChI InChI=1S/C16H10O3/c17-13-8-4-7-11-15(13)14(18)9-12(16(11)19)10-5-2-1-3-6-10/h1-9,17H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 preincubated after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 2183-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.023 BindingDB Entry DOI: 10.7270/Q2JS9QRG
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50340593 (2-(4-Methoxyphenyl)-6-phenyl-1,4-benzoquinone | CH...) Show SMILES COc1ccc(cc1)C1=CC(=O)C=C(C1=O)c1ccccc1 |c:13,t:9| Show InChI InChI=1S/C19H14O3/c1-22-16-9-7-14(8-10-16)18-12-15(20)11-17(19(18)21)13-5-3-2-4-6-13/h2-12H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 preincubated after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 2183-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.023 BindingDB Entry DOI: 10.7270/Q2JS9QRG
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50340594 (CHEMBL1762683 | [1,1';4'1'']Terphenyl-2'5'-diol) Show SMILES Oc1cc(c(O)cc1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C18H14O2/c19-17-12-16(14-9-5-2-6-10-14)18(20)11-15(17)13-7-3-1-4-8-13/h1-12,19-20H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 preincubated after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 2183-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.023 BindingDB Entry DOI: 10.7270/Q2JS9QRG
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50340595 (5-hydroxy-2-(4-hydroxyphenyl)naphthalene-1,4-dione...) Show SMILES Oc1ccc(cc1)C1=CC(=O)c2c(O)cccc2C1=O |t:8| Show InChI InChI=1S/C16H10O4/c17-10-6-4-9(5-7-10)12-8-14(19)15-11(16(12)20)2-1-3-13(15)18/h1-8,17-18H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 preincubated after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 2183-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.023 BindingDB Entry DOI: 10.7270/Q2JS9QRG
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50340596 (Acetic acid 5'-acetoxy-4,4'-[1,1';3',1'']terphenyl...) Show SMILES CC(=O)Oc1cc(c(OC(C)=O)c(c1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C22H18O4/c1-15(23)25-19-13-20(17-9-5-3-6-10-17)22(26-16(2)24)21(14-19)18-11-7-4-8-12-18/h3-14H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 preincubated after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 2183-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.023 BindingDB Entry DOI: 10.7270/Q2JS9QRG
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50340597 (2,5-Bis-(4-methoxyphenyl)-1,4-benzoquinone | CHEMB...) Show SMILES COc1ccc(cc1)C1=CC(=O)C(=CC1=O)c1ccc(OC)cc1 |c:13,t:9| Show InChI InChI=1S/C20H16O4/c1-23-15-7-3-13(4-8-15)17-11-20(22)18(12-19(17)21)14-5-9-16(24-2)10-6-14/h3-12H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 preincubated after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 2183-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.023 BindingDB Entry DOI: 10.7270/Q2JS9QRG
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50340598 (Acetic acid 5'-acetoxy-4,4'-dimethoxy-[1,1';4',1''...) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c(cc1OC(C)=O)-c1ccc(OC)cc1 Show InChI InChI=1S/C24H22O6/c1-15(25)29-23-13-22(18-7-11-20(28-4)12-8-18)24(30-16(2)26)14-21(23)17-5-9-19(27-3)10-6-17/h5-14H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 preincubated after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 2183-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.023 BindingDB Entry DOI: 10.7270/Q2JS9QRG
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50424415 (CHEMBL2315715) Show SMILES CN1CC(=O)OB(OC(=O)C1)\C=C\c1ccccc1 Show InChI InChI=1S/C13H14BNO4/c1-15-9-12(16)18-14(19-13(17)10-15)8-7-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3/b8-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.36E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE using H-RE-(EDANS)EVNLDAEFK(DABCYL)R-OH as substrate preincubated for 1 hr before addition of substrate measured...				Bioorg Med Chem Lett 23: 426-9 (2012) Article DOI: 10.1016/j.bmcl.2012.11.068 BindingDB Entry DOI: 10.7270/Q2MW2JFC
					More data for this Ligand-Target Pair