Compile Data Set for Download or QSAR

Found 5 hits of affinity data for UniProtKB/TrEMBL: P56819   

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 (Rattus norvegicus)	BDBM50510771 (CHEMBL4467035) Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@@H]2C(F)F)c1cc(NC(=O)c2cnc(OC)cn2)ccc1F |r,c:5| Show InChI InChI=1S/C19H18F3N5O3S/c1-29-14-6-24-13(5-25-14)17(28)26-9-2-3-12(20)10(4-9)19-8-30-15(16(21)22)11(19)7-31-18(23)27-19/h2-6,11,15-16H,7-8H2,1H3,(H2,23,27)(H,26,28)/t11-,15+,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development Curated by ChEMBL					Assay Description Inhibition of BACE1 in Wistar rat neuronal cell suspension after 1 to 3 days by ELISA				Bioorg Med Chem Lett 29: 761-777 (2019) Article DOI: 10.1016/j.bmcl.2018.12.049 BindingDB Entry DOI: 10.7270/Q2S185SH
					More data for this Ligand-Target Pair
Beta-secretase 1 (Rattus norvegicus)	BDBM50012645 (CHEMBL3261055) Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@@H]2C(F)(F)F)c1cc(NC(=O)c2cnc(CF)cn2)ccc1F |r,c:5| Show InChI InChI=1S/C19H16F5N5O2S/c20-4-10-5-27-14(6-26-10)16(30)28-9-1-2-13(21)11(3-9)18-8-31-15(19(22,23)24)12(18)7-32-17(25)29-18/h1-3,5-6,12,15H,4,7-8H2,(H2,25,29)(H,28,30)/t12-,15+,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of BACE1 in Wistar rat primary neuronal cells assessed as inhibition of production of amyloid beta (1 to 42) after 3 days by ELISA				Bioorg Med Chem Lett 24: 2033-45 (2014) Article DOI: 10.1016/j.bmcl.2014.03.025 BindingDB Entry DOI: 10.7270/Q2H41T0Z
					More data for this Ligand-Target Pair
Beta-secretase 1 (Rattus norvegicus)	BDBM50012644 (CHEMBL3261054) Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@@H]2CF)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F |r,c:5| Show InChI InChI=1S/C19H17F4N5O2S/c20-4-15-11-7-31-18(24)28-19(11,8-30-15)10-3-9(1-2-12(10)21)27-17(29)14-6-25-13(5-26-14)16(22)23/h1-3,5-6,11,15-16H,4,7-8H2,(H2,24,28)(H,27,29)/t11-,15-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of BACE1 in Wistar rat primary neuronal cells assessed as inhibition of production of amyloid beta (1 to 42) after 3 days by ELISA				Bioorg Med Chem Lett 24: 2033-45 (2014) Article DOI: 10.1016/j.bmcl.2014.03.025 BindingDB Entry DOI: 10.7270/Q2H41T0Z
					More data for this Ligand-Target Pair
Beta-secretase 1 (Rattus norvegicus)	BDBM50510817 (CHEMBL4566926) Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@@H]2C(F)(F)F)c1cc(NC(=O)c2cnc(OC)cn2)ccc1F |r,c:5| Show InChI InChI=1S/C19H17F4N5O3S/c1-30-14-6-25-13(5-26-14)16(29)27-9-2-3-12(20)10(4-9)18-8-31-15(19(21,22)23)11(18)7-32-17(24)28-18/h2-6,11,15H,7-8H2,1H3,(H2,24,28)(H,27,29)/t11-,15+,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development Curated by ChEMBL					Assay Description Inhibition of BACE1 in Wistar rat neuronal cell suspension after 1 to 3 days by ELISA				Bioorg Med Chem Lett 29: 761-777 (2019) Article DOI: 10.1016/j.bmcl.2018.12.049 BindingDB Entry DOI: 10.7270/Q2S185SH
					More data for this Ligand-Target Pair
Beta-secretase 1 (Rattus norvegicus)	BDBM50510788 (CHEMBL4576365) Show SMILES [H][C@]12CSC(N)=N[C@]1(CCO2)c1cccc(NC(=O)c2cnc(cn2)C(F)F)c1 |r,c:5| Show InChI InChI=1S/C18H17F2N5O2S/c19-15(20)12-7-23-13(8-22-12)16(26)24-11-3-1-2-10(6-11)18-4-5-27-14(18)9-28-17(21)25-18/h1-3,6-8,14-15H,4-5,9H2,(H2,21,25)(H,24,26)/t14-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development Curated by ChEMBL					Assay Description Inhibition of BACE1 in Wistar rat neuronal cell suspension after 1 to 3 days by ELISA				Bioorg Med Chem Lett 29: 761-777 (2019) Article DOI: 10.1016/j.bmcl.2018.12.049 BindingDB Entry DOI: 10.7270/Q2S185SH
					More data for this Ligand-Target Pair