Compile Data Set for Download or QSAR

Found 47 hits Enz. Inhib. hit(s) with all data for entry = 50031515   

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))	BDBM50314606 ((5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-met...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)ccc1F |r,c:3| Show InChI InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,14-7-9-25-10-8-14)15-4-2-3-13(11-15)17-12-16(22)5-6-18(17)23/h2-12H,1H3,(H2,24,26)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 2 (Homo sapiens (Human))	BDBM50314607 (2-amino-4-(3'-methoxybiphenyl-3-yl)-1-methyl-4-(py...) Show SMILES COc1cccc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccncc1 |t:17| Show InChI InChI=1S/C22H20N4O2/c1-26-20(27)22(25-21(26)23,17-9-11-24-12-10-17)18-7-3-5-15(13-18)16-6-4-8-19(14-16)28-2/h3-14H,1-2H3,(H2,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE2 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50314607 (2-amino-4-(3'-methoxybiphenyl-3-yl)-1-methyl-4-(py...) Show SMILES COc1cccc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccncc1 |t:17| Show InChI InChI=1S/C22H20N4O2/c1-26-20(27)22(25-21(26)23,17-9-11-24-12-10-17)18-7-3-5-15(13-18)16-6-4-8-19(14-16)28-2/h3-14H,1-2H3,(H2,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50314603 (2-amino-4-(3-(2-fluoropyridin-3-yl)phenyl)-1-methy...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccnc1F |c:3| Show InChI InChI=1S/C20H16FN5O/c1-26-18(27)20(25-19(26)22,14-7-10-23-11-8-14)15-5-2-4-13(12-15)16-6-3-9-24-17(16)21/h2-12H,1H3,(H2,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50314609 (3'-(2-amino-1-methyl-5-oxo-4-(pyridin-4-yl)-4,5-di...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccc(c1)C#N |c:3| Show InChI InChI=1S/C22H17N5O/c1-27-20(28)22(26-21(27)24,18-8-10-25-11-9-18)19-7-3-6-17(13-19)16-5-2-4-15(12-16)14-23/h2-13H,1H3,(H2,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE2 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50314609 (3'-(2-amino-1-methyl-5-oxo-4-(pyridin-4-yl)-4,5-di...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccc(c1)C#N |c:3| Show InChI InChI=1S/C22H17N5O/c1-27-20(28)22(26-21(27)24,18-8-10-25-11-9-18)19-7-3-6-17(13-19)16-5-2-4-15(12-16)14-23/h2-13H,1H3,(H2,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50314611 (2-amino-4-(2',3'-difluorobiphenyl-3-yl)-1-methyl-4...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccc(F)c1F |c:3| Show InChI InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,14-8-10-25-11-9-14)15-5-2-4-13(12-15)16-6-3-7-17(22)18(16)23/h2-12H,1H3,(H2,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50314604 ((+/-)-2-amino-4-(2',5'-difluorobiphenyl-3-yl)-1-me...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)ccc1F |c:3| Show InChI InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,14-7-9-25-10-8-14)15-4-2-3-13(11-15)17-12-16(22)5-6-18(17)23/h2-12H,1H3,(H2,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50314610 (2-amino-4-(3'-fluorobiphenyl-3-yl)-1-methyl-4-(pyr...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccc(F)c1 |c:3| Show InChI InChI=1S/C21H17FN4O/c1-26-19(27)21(25-20(26)23,16-8-10-24-11-9-16)17-6-2-4-14(12-17)15-5-3-7-18(22)13-15/h2-13H,1H3,(H2,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50310155 (2-amino-1-methyl-4-(3-(pyridin-3-yl)phenyl)-4-(pyr...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccnc1 |c:3| Show InChI InChI=1S/C20H17N5O/c1-25-18(26)20(24-19(25)21,16-7-10-22-11-8-16)17-6-2-4-14(12-17)15-5-3-9-23-13-15/h2-13H,1H3,(H2,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50314600 (2-amino-4-(3',5'-difluorobiphenyl-3-yl)-1-methyl-4...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)cc(F)c1 |c:3| Show InChI InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,15-5-7-25-8-6-15)16-4-2-3-13(9-16)14-10-17(22)12-18(23)11-14/h2-12H,1H3,(H2,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50314600 (2-amino-4-(3',5'-difluorobiphenyl-3-yl)-1-methyl-4...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)cc(F)c1 |c:3| Show InChI InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,15-5-7-25-8-6-15)16-4-2-3-13(9-16)14-10-17(22)12-18(23)11-14/h2-12H,1H3,(H2,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE2 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50314612 (2-amino-1-methyl-4-(3-(pyrazin-2-yl)phenyl)-4-(pyr...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cnccn1 |c:3| Show InChI InChI=1S/C19H16N6O/c1-25-17(26)19(24-18(25)20,14-5-7-21-8-6-14)15-4-2-3-13(11-15)16-12-22-9-10-23-16/h2-12H,1H3,(H2,20,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50314610 (2-amino-4-(3'-fluorobiphenyl-3-yl)-1-methyl-4-(pyr...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccc(F)c1 |c:3| Show InChI InChI=1S/C21H17FN4O/c1-26-19(27)21(25-20(26)23,16-8-10-24-11-9-16)17-6-2-4-14(12-17)15-5-3-7-18(22)13-15/h2-13H,1H3,(H2,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE2 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50314606 ((5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-met...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)ccc1F |r,c:3| Show InChI InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,14-7-9-25-10-8-14)15-4-2-3-13(11-15)17-12-16(22)5-6-18(17)23/h2-12H,1H3,(H2,24,26)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE2 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50314604 ((+/-)-2-amino-4-(2',5'-difluorobiphenyl-3-yl)-1-me...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)ccc1F |c:3| Show InChI InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,14-7-9-25-10-8-14)15-4-2-3-13(11-15)17-12-16(22)5-6-18(17)23/h2-12H,1H3,(H2,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE2 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50310149 (2-amino-4-(biphenyl-3-yl)-1-methyl-4-(pyridin-4-yl...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1ccccc1 |c:3| Show InChI InChI=1S/C21H18N4O/c1-25-19(26)21(24-20(25)22,17-10-12-23-13-11-17)18-9-5-8-16(14-18)15-6-3-2-4-7-15/h2-14H,1H3,(H2,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50314611 (2-amino-4-(2',3'-difluorobiphenyl-3-yl)-1-methyl-4...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccc(F)c1F |c:3| Show InChI InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,14-8-10-25-11-9-14)15-5-2-4-13(12-15)16-6-3-7-17(22)18(16)23/h2-12H,1H3,(H2,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE2 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50314608 (2-amino-1-methyl-4-(pyridin-4-yl)-4-(3'-(trifluoro...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccc(OC(F)(F)F)c1 |c:3| Show InChI InChI=1S/C22H17F3N4O2/c1-29-19(30)21(28-20(29)26,16-8-10-27-11-9-16)17-6-2-4-14(12-17)15-5-3-7-18(13-15)31-22(23,24)25/h2-13H,1H3,(H2,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE2 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50310149 (2-amino-4-(biphenyl-3-yl)-1-methyl-4-(pyridin-4-yl...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1ccccc1 |c:3| Show InChI InChI=1S/C21H18N4O/c1-25-19(26)21(24-20(25)22,17-10-12-23-13-11-17)18-9-5-8-16(14-18)15-6-3-2-4-7-15/h2-14H,1H3,(H2,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE2 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50314601 (2-amino-1-methyl-4-(pyridin-4-yl)-4-(3-(thiophen-3...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1ccsc1 |c:3| Show InChI InChI=1S/C19H16N4OS/c1-23-17(24)19(22-18(23)20,15-5-8-21-9-6-15)16-4-2-3-13(11-16)14-7-10-25-12-14/h2-12H,1H3,(H2,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE2 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50314601 (2-amino-1-methyl-4-(pyridin-4-yl)-4-(3-(thiophen-3...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1ccsc1 |c:3| Show InChI InChI=1S/C19H16N4OS/c1-23-17(24)19(22-18(23)20,15-5-8-21-9-6-15)16-4-2-3-13(11-16)14-7-10-25-12-14/h2-12H,1H3,(H2,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50314608 (2-amino-1-methyl-4-(pyridin-4-yl)-4-(3'-(trifluoro...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccc(OC(F)(F)F)c1 |c:3| Show InChI InChI=1S/C22H17F3N4O2/c1-29-19(30)21(28-20(29)26,16-8-10-27-11-9-16)17-6-2-4-14(12-17)15-5-3-7-18(13-15)31-22(23,24)25/h2-13H,1H3,(H2,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50310155 (2-amino-1-methyl-4-(3-(pyridin-3-yl)phenyl)-4-(pyr...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccnc1 |c:3| Show InChI InChI=1S/C20H17N5O/c1-25-18(26)20(24-19(25)21,16-7-10-22-11-8-16)17-6-2-4-14(12-17)15-5-3-9-23-13-15/h2-13H,1H3,(H2,21,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE2 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50314602 (2-amino-4-(3-(furan-3-yl)phenyl)-1-methyl-4-(pyrid...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1ccoc1 |c:3| Show InChI InChI=1S/C19H16N4O2/c1-23-17(24)19(22-18(23)20,15-5-8-21-9-6-15)16-4-2-3-13(11-16)14-7-10-25-12-14/h2-12H,1H3,(H2,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE2 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50314602 (2-amino-4-(3-(furan-3-yl)phenyl)-1-methyl-4-(pyrid...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1ccoc1 |c:3| Show InChI InChI=1S/C19H16N4O2/c1-23-17(24)19(22-18(23)20,15-5-8-21-9-6-15)16-4-2-3-13(11-16)14-7-10-25-12-14/h2-12H,1H3,(H2,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50314605 ((R)-2-amino-4-(2',5'-difluorobiphenyl-3-yl)-1-meth...) Show SMILES CN1C(N)=N[C@@](C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)ccc1F |r,c:3| Show InChI InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,14-7-9-25-10-8-14)15-4-2-3-13(11-15)17-12-16(22)5-6-18(17)23/h2-12H,1H3,(H2,24,26)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE2 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50314603 (2-amino-4-(3-(2-fluoropyridin-3-yl)phenyl)-1-methy...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccnc1F |c:3| Show InChI InChI=1S/C20H16FN5O/c1-26-18(27)20(25-19(26)22,14-7-10-23-11-8-14)15-5-2-4-13(12-15)16-6-3-9-24-17(16)21/h2-12H,1H3,(H2,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE2 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50314612 (2-amino-1-methyl-4-(3-(pyrazin-2-yl)phenyl)-4-(pyr...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cnccn1 |c:3| Show InChI InChI=1S/C19H16N6O/c1-25-17(26)19(24-18(25)20,14-5-7-21-8-6-14)15-4-2-3-13(11-15)16-12-22-9-10-23-16/h2-12H,1H3,(H2,20,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE2 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50310154 (2-amino-1-methyl-4-phenyl-4-(pyridin-4-yl)-1H-imid...) Show SMILES CN1C(N)=NC(C1=O)(c1ccccc1)c1ccncc1 |c:3| Show InChI InChI=1S/C15H14N4O/c1-19-13(20)15(18-14(19)16,11-5-3-2-4-6-11)12-7-9-17-10-8-12/h2-10H,1H3,(H2,16,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE2 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50310154 (2-amino-1-methyl-4-phenyl-4-(pyridin-4-yl)-1H-imid...) Show SMILES CN1C(N)=NC(C1=O)(c1ccccc1)c1ccncc1 |c:3| Show InChI InChI=1S/C15H14N4O/c1-19-13(20)15(18-14(19)16,11-5-3-2-4-6-11)12-7-9-17-10-8-12/h2-10H,1H3,(H2,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50300229 (1-methyl-4,4-diphenyl-4,5-dihydro-1H-imidazol-2-am...) Show SMILES CN1C(N)=NC(C1=O)(c1ccccc1)c1ccccc1 |c:3| Show InChI InChI=1S/C16H15N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H2,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50314605 ((R)-2-amino-4-(2',5'-difluorobiphenyl-3-yl)-1-meth...) Show SMILES CN1C(N)=N[C@@](C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)ccc1F |r,c:3| Show InChI InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,14-7-9-25-10-8-14)15-4-2-3-13(11-15)17-12-16(22)5-6-18(17)23/h2-12H,1H3,(H2,24,26)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50314606 ((5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-met...) Show SMILES CN1C(N)=N[C@](C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)ccc1F |r,c:3| Show InChI InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,14-7-9-25-10-8-14)15-4-2-3-13(11-15)17-12-16(22)5-6-18(17)23/h2-12H,1H3,(H2,24,26)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of cathepsin D by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50314604 ((+/-)-2-amino-4-(2',5'-difluorobiphenyl-3-yl)-1-me...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)ccc1F |c:3| Show InChI InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,14-7-9-25-10-8-14)15-4-2-3-13(11-15)17-12-16(22)5-6-18(17)23/h2-12H,1H3,(H2,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of cathepsin D by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50314607 (2-amino-4-(3'-methoxybiphenyl-3-yl)-1-methyl-4-(py...) Show SMILES COc1cccc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccncc1 |t:17| Show InChI InChI=1S/C22H20N4O2/c1-26-20(27)22(25-21(26)23,17-9-11-24-12-10-17)18-7-3-5-15(13-18)16-6-4-8-19(14-16)28-2/h3-14H,1-2H3,(H2,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of cathepsin D by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50314611 (2-amino-4-(2',3'-difluorobiphenyl-3-yl)-1-methyl-4...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccc(F)c1F |c:3| Show InChI InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,14-8-10-25-11-9-14)15-5-2-4-13(12-15)16-6-3-7-17(22)18(16)23/h2-12H,1H3,(H2,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of cathepsin D by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50314608 (2-amino-1-methyl-4-(pyridin-4-yl)-4-(3'-(trifluoro...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccc(OC(F)(F)F)c1 |c:3| Show InChI InChI=1S/C22H17F3N4O2/c1-29-19(30)21(28-20(29)26,16-8-10-27-11-9-16)17-6-2-4-14(12-17)15-5-3-7-18(13-15)31-22(23,24)25/h2-13H,1H3,(H2,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of cathepsin D by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50314603 (2-amino-4-(3-(2-fluoropyridin-3-yl)phenyl)-1-methy...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccnc1F |c:3| Show InChI InChI=1S/C20H16FN5O/c1-26-18(27)20(25-19(26)22,14-7-10-23-11-8-14)15-5-2-4-13(12-15)16-6-3-9-24-17(16)21/h2-12H,1H3,(H2,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of cathepsin D by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50314610 (2-amino-4-(3'-fluorobiphenyl-3-yl)-1-methyl-4-(pyr...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccc(F)c1 |c:3| Show InChI InChI=1S/C21H17FN4O/c1-26-19(27)21(25-20(26)23,16-8-10-24-11-9-16)17-6-2-4-14(12-17)15-5-3-7-18(22)13-15/h2-13H,1H3,(H2,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of cathepsin D by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50314609 (3'-(2-amino-1-methyl-5-oxo-4-(pyridin-4-yl)-4,5-di...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccc(c1)C#N |c:3| Show InChI InChI=1S/C22H17N5O/c1-27-20(28)22(26-21(27)24,18-8-10-25-11-9-18)19-7-3-6-17(13-19)16-5-2-4-15(12-16)14-23/h2-13H,1H3,(H2,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of cathepsin D by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50314605 ((R)-2-amino-4-(2',5'-difluorobiphenyl-3-yl)-1-meth...) Show SMILES CN1C(N)=N[C@@](C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)ccc1F |r,c:3| Show InChI InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,14-7-9-25-10-8-14)15-4-2-3-13(11-15)17-12-16(22)5-6-18(17)23/h2-12H,1H3,(H2,24,26)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of cathepsin D by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50310149 (2-amino-4-(biphenyl-3-yl)-1-methyl-4-(pyridin-4-yl...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1ccccc1 |c:3| Show InChI InChI=1S/C21H18N4O/c1-25-19(26)21(24-20(25)22,17-10-12-23-13-11-17)18-9-5-8-16(14-18)15-6-3-2-4-7-15/h2-14H,1H3,(H2,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of cathepsin D by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50314601 (2-amino-1-methyl-4-(pyridin-4-yl)-4-(3-(thiophen-3...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1ccsc1 |c:3| Show InChI InChI=1S/C19H16N4OS/c1-23-17(24)19(22-18(23)20,15-5-8-21-9-6-15)16-4-2-3-13(11-16)14-7-10-25-12-14/h2-12H,1H3,(H2,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of cathepsin D by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50314600 (2-amino-4-(3',5'-difluorobiphenyl-3-yl)-1-methyl-4...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)cc(F)c1 |c:3| Show InChI InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,15-5-7-25-8-6-15)16-4-2-3-13(9-16)14-10-17(22)12-18(23)11-14/h2-12H,1H3,(H2,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of cathepsin D by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50300710 (8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrim...) Show SMILES NC1=NC(C2=NCCCN12)(c1ccccc1)c1ccccc1 |t:1,4| Show InChI InChI=1S/C18H18N4/c19-17-21-18(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16-20-12-7-13-22(16)17/h1-6,8-11H,7,12-13H2,(H2,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin D (Homo sapiens (Human))	BDBM50314602 (2-amino-4-(3-(furan-3-yl)phenyl)-1-methyl-4-(pyrid...) Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1ccoc1 |c:3| Show InChI InChI=1S/C19H16N4O2/c1-23-17(24)19(22-18(23)20,15-5-8-21-9-6-15)16-4-2-3-13(11-16)14-7-10-25-12-14/h2-12H,1H3,(H2,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of cathepsin D by FRET assay				Bioorg Med Chem Lett 20: 2326-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.136 BindingDB Entry DOI: 10.7270/Q28C9WDF
					More data for this Ligand-Target Pair