Compile Data Set for Download or QSAR

Found 178 hits Enz. Inhib. hit(s) with all data for entry = 8551   

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))	BDBM258304 (US9493485, 9-145) Show SMILES C[C@]1(CC2(CCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:10| Show InChI InChI=1S/C20H20ClFN4OS/c1-19(11-20(7-2-8-20)28-18(23)26-19)14-9-13(4-5-15(14)22)25-17(27)16-6-3-12(21)10-24-16/h3-6,9-10H,2,7-8,11H2,1H3,(H2,23,26)(H,25,27)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	4.5	37
Imago Pharmaceuticals, Inc. US Patent					Assay Description Compounds are also assessed for BACE1 and Cathepsin D activity using an FP Assay. Compounds to be assessed (e.g. compounds as described in the above ...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258329 (US9493485, 13-182) Show SMILES COc1cccnc1Nc1ccc(F)c(c1)[C@]1(C)CC2(CCOCC2)SC(N)=N1 |r,c:30| Show InChI InChI=1S/C21H25FN4O2S/c1-20(13-21(29-19(23)26-20)7-10-28-11-8-21)15-12-14(5-6-16(15)22)25-18-17(27-2)4-3-9-24-18/h3-6,9,12H,7-8,10-11,13H2,1-2H3,(H2,23,26)(H,24,25)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258309 (US9493485, 9-150) Show SMILES CC1(CC2(CCOCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |c:12| Show InChI InChI=1S/C21H22ClFN4O2S/c1-20(12-21(30-19(24)27-20)6-8-29-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	4.5	37
Imago Pharmaceuticals, Inc. US Patent					Assay Description Compounds are also assessed for BACE1 and Cathepsin D activity using an FP Assay. Compounds to be assessed (e.g. compounds as described in the above ...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258287 (US9493485, 9-128) Show SMILES C[C@]1(CC2(CCOCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:12| Show InChI InChI=1S/C21H22F2N4O3/c1-20(12-21(30-19(24)27-20)6-8-29-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258304 (US9493485, 9-145) Show SMILES C[C@]1(CC2(CCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:10| Show InChI InChI=1S/C20H20ClFN4OS/c1-19(11-20(7-2-8-20)28-18(23)26-19)14-9-13(4-5-15(14)22)25-17(27)16-6-3-12(21)10-24-16/h3-6,9-10H,2,7-8,11H2,1H3,(H2,23,26)(H,25,27)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258283 (US9493485, 9-124) Show SMILES C[C@]1(CC2(CCC(F)(F)CC2)OC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:14| Show InChI InChI=1S/C22H22ClF3N4O2/c1-20(12-21(32-19(27)30-20)6-8-22(25,26)9-7-21)15-10-14(3-4-16(15)24)29-18(31)17-5-2-13(23)11-28-17/h2-5,10-11H,6-9,12H2,1H3,(H2,27,30)(H,29,31)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258310 (US9493485, 9-151) Show SMILES C[C@]1(CC2(CCOCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:12| Show InChI InChI=1S/C21H22ClFN4O2S/c1-20(12-21(30-19(24)27-20)6-8-29-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	4.5	37
Imago Pharmaceuticals, Inc. US Patent					Assay Description Compounds are also assessed for BACE1 and Cathepsin D activity using an FP Assay. Compounds to be assessed (e.g. compounds as described in the above ...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258290 (US9493485, 9-131) Show SMILES C[C@]1(CC2(CCC2)OC(N)=N1)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F |r,c:10| Show InChI InChI=1S/C20H19ClF2N4O2/c1-19(10-20(5-2-6-20)29-18(24)27-19)13-8-12(3-4-14(13)22)26-17(28)16-15(23)7-11(21)9-25-16/h3-4,7-9H,2,5-6,10H2,1H3,(H2,24,27)(H,26,28)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.70	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258289 (US9493485, 9-130) Show SMILES C[C@]1(CC2(CCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10| Show InChI InChI=1S/C21H20FN5O2/c1-20(12-21(7-2-8-21)29-19(24)27-20)15-9-14(4-5-16(15)22)26-18(28)17-6-3-13(10-23)11-25-17/h3-6,9,11H,2,7-8,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258301 (US9493485, 9-142) Show SMILES CC1(CC2(CCCCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |c:12| Show InChI InChI=1S/C22H24F2N4OS/c1-21(13-22(30-20(25)28-21)9-3-2-4-10-22)16-11-15(6-7-17(16)24)27-19(29)18-8-5-14(23)12-26-18/h5-8,11-12H,2-4,9-10,13H2,1H3,(H2,25,28)(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258291 (US9493485, 9-132) Show SMILES C[C@]1(CC2(CCC(F)(F)CC2)OC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r,c:14| Show InChI InChI=1S/C23H22F6N4O2/c1-20(12-21(35-19(30)33-20)6-8-22(25,26)9-7-21)15-10-14(3-4-16(15)24)32-18(34)17-5-2-13(11-31-17)23(27,28)29/h2-5,10-11H,6-9,12H2,1H3,(H2,30,33)(H,32,34)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258307 (US9493485, 9-148) Show SMILES C[C@]1(CC2(CCOCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:12| Show InChI InChI=1S/C21H22F2N4O2S/c1-20(12-21(30-19(24)27-20)6-8-29-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.80	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258277 (US9493485, 8-113) Show SMILES CC#Cc1cncc(c1)-c1csc(c1)C1(C)CC2(CCOCC2)SC(N)=N1 |c:28| Show InChI InChI=1S/C21H23N3OS2/c1-3-4-15-9-16(12-23-11-15)17-10-18(26-13-17)20(2)14-21(27-19(22)24-20)5-7-25-8-6-21/h9-13H,5-8,14H2,1-2H3,(H2,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<7	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258295 (US9493485, 9-136) Show SMILES C[C@]1(CC2(CCC(F)(F)CC2)OC(N)=N1)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F |r,c:14| Show InChI InChI=1S/C22H22BrF3N4O2/c1-20(12-21(32-19(27)30-20)6-8-22(25,26)9-7-21)15-10-14(3-4-16(15)24)29-18(31)17-5-2-13(23)11-28-17/h2-5,10-11H,6-9,12H2,1H3,(H2,27,30)(H,29,31)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258313 (US9493485, 9-154) Show SMILES C[C@]1(CC2(CC2)OC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:9| Show InChI InChI=1S/C19H18ClFN4O2/c1-18(10-19(6-7-19)27-17(22)25-18)13-8-12(3-4-14(13)21)24-16(26)15-5-2-11(20)9-23-15/h2-5,8-9H,6-7,10H2,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.5	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258306 (US9493485, 9-147) Show SMILES CC1(CC2(CCOCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |c:12| Show InChI InChI=1S/C21H22F2N4O2S/c1-20(12-21(30-19(24)27-20)6-8-29-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258303 (US9493485, 9-144) Show SMILES C[C@]1(CC2(CCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:10| Show InChI InChI=1S/C20H20F2N4OS/c1-19(11-20(7-2-8-20)28-18(23)26-19)14-9-13(4-5-15(14)22)25-17(27)16-6-3-12(21)10-24-16/h3-6,9-10H,2,7-8,11H2,1H3,(H2,23,26)(H,25,27)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258288 (US9493485, 9-129) Show SMILES C[C@]1(CC2(CCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:10| Show InChI InChI=1S/C20H20ClFN4O2/c1-19(11-20(7-2-8-20)28-18(23)26-19)14-9-13(4-5-15(14)22)25-17(27)16-6-3-12(21)10-24-16/h3-6,9-10H,2,7-8,11H2,1H3,(H2,23,26)(H,25,27)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.30	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258282 (US9493485, 9-123) Show SMILES C[C@]1(CC2(CCC(F)(F)CC2)OC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:14| Show InChI InChI=1S/C22H22F4N4O2/c1-20(12-21(32-19(27)30-20)6-8-22(25,26)9-7-21)15-10-14(3-4-16(15)24)29-18(31)17-5-2-13(23)11-28-17/h2-5,10-11H,6-9,12H2,1H3,(H2,27,30)(H,29,31)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.70	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258309 (US9493485, 9-150) Show SMILES CC1(CC2(CCOCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |c:12| Show InChI InChI=1S/C21H22ClFN4O2S/c1-20(12-21(30-19(24)27-20)6-8-29-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258298 (US9493485, 9-139) Show SMILES CC1(CC2(CCOCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |c:12| Show InChI InChI=1S/C22H22FN5O3/c1-21(13-22(31-20(25)28-21)6-8-30-9-7-22)16-10-15(3-4-17(16)23)27-19(29)18-5-2-14(11-24)12-26-18/h2-5,10,12H,6-9,13H2,1H3,(H2,25,28)(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258292 (US9493485, 9-133) Show SMILES C[C@]1(CC2(CCC(F)(F)CC2)OC(N)=N1)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F |r,c:14| Show InChI InChI=1S/C22H21ClF4N4O2/c1-20(11-21(33-19(28)31-20)4-6-22(26,27)7-5-21)14-9-13(2-3-15(14)24)30-18(32)17-16(25)8-12(23)10-29-17/h2-3,8-10H,4-7,11H2,1H3,(H2,28,31)(H,30,32)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258280 (US9493485, 9-121) Show SMILES CC1(CC2(CCOCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |c:12| Show InChI InChI=1S/C21H22ClFN4O3/c1-20(12-21(30-19(24)27-20)6-8-29-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258310 (US9493485, 9-151) Show SMILES C[C@]1(CC2(CCOCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:12| Show InChI InChI=1S/C21H22ClFN4O2S/c1-20(12-21(30-19(24)27-20)6-8-29-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.70	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258305 (US9493485, 9-146) Show SMILES C[C@]1(CC2(COC2)SC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:10| Show InChI InChI=1S/C19H18F2N4O2S/c1-18(8-19(9-27-10-19)28-17(22)25-18)13-6-12(3-4-14(13)21)24-16(26)15-5-2-11(20)7-23-15/h2-7H,8-10H2,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.80	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258294 (US9493485, 9-135) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC2(CCC2)OC(N)=N1 |r,c:30| Show InChI InChI=1S/C20H22FN5O3/c1-19(11-20(6-3-7-20)29-18(22)26-19)13-8-12(4-5-14(13)21)25-17(27)15-9-24-16(28-2)10-23-15/h4-5,8-10H,3,6-7,11H2,1-2H3,(H2,22,26)(H,25,27)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.5	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258297 (US9493485, 9-138) Show SMILES Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC2(CCC2)OC(N)=N1 |r,c:28| Show InChI InChI=1S/C19H21FN4O3/c1-11-22-15(9-26-11)16(25)23-12-4-5-14(20)13(8-12)18(2)10-19(6-3-7-19)27-17(21)24-18/h4-5,8-9H,3,6-7,10H2,1-2H3,(H2,21,24)(H,23,25)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258285 (US9493485, 9-126) Show SMILES C[C@]1(CC2(CCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:10| Show InChI InChI=1S/C20H20F2N4O2/c1-19(11-20(7-2-8-20)28-18(23)26-19)14-9-13(4-5-15(14)22)25-17(27)16-6-3-12(21)10-24-16/h3-6,9-10H,2,7-8,11H2,1H3,(H2,23,26)(H,25,27)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258281 (US9493485, 9-122) Show SMILES C[C@]1(CC2(CCOCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:12| Show InChI InChI=1S/C21H22ClFN4O3/c1-20(12-21(30-19(24)27-20)6-8-29-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258320 (US9493485, 9-161) Show SMILES CC1(N=C(N)OC2(CCC2)C1(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |t:2| Show InChI InChI=1S/C21H18F3N5O2/c1-19(21(23,24)20(7-2-8-20)31-18(26)29-19)14-9-13(4-5-15(14)22)28-17(30)16-6-3-12(10-25)11-27-16/h3-6,9,11H,2,7-8H2,1H3,(H2,26,29)(H,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.5	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258321 (US9493485, 9-162) Show SMILES C[C@@]1(N=C(N)OC2(CCC2)C1(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2| Show InChI InChI=1S/C21H18F3N5O2/c1-19(21(23,24)20(7-2-8-20)31-18(26)29-19)14-9-13(4-5-15(14)22)28-17(30)16-6-3-12(10-25)11-27-16/h3-6,9,11H,2,7-8H2,1H3,(H2,26,29)(H,28,30)/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258317 (US9493485, 9-158) Show SMILES CC1(N=C(N)OC2(CCOCC2)C1(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |t:2| Show InChI InChI=1S/C21H20ClF3N4O3/c1-19(21(24,25)20(32-18(26)29-19)6-8-31-9-7-20)14-10-13(3-4-15(14)23)28-17(30)16-5-2-12(22)11-27-16/h2-5,10-11H,6-9H2,1H3,(H2,26,29)(H,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258292 (US9493485, 9-133) Show SMILES C[C@]1(CC2(CCC(F)(F)CC2)OC(N)=N1)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F |r,c:14| Show InChI InChI=1S/C22H21ClF4N4O2/c1-20(11-21(33-19(28)31-20)4-6-22(26,27)7-5-21)14-9-13(2-3-15(14)24)30-18(32)17-16(25)8-12(23)10-29-17/h2-3,8-10H,4-7,11H2,1H3,(H2,28,31)(H,30,32)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	4.5	37
Imago Pharmaceuticals, Inc. US Patent					Assay Description Compounds are also assessed for BACE1 and Cathepsin D activity using an FP Assay. Compounds to be assessed (e.g. compounds as described in the above ...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258268 (US9493485, 8-104) Show SMILES CC#Cc1cncc(c1)-c1csc(c1)[C@]1(C)CC2(CCOCC2)OC(N)=N1 |r,c:28| Show InChI InChI=1S/C21H23N3O2S/c1-3-4-15-9-16(12-23-11-15)17-10-18(27-13-17)20(2)14-21(26-19(22)24-20)5-7-25-8-6-21/h9-13H,5-8,14H2,1-2H3,(H2,22,24)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258296 (US9493485, 9-137) Show SMILES C[C@]1(CC2(CCC(F)(F)CC2)OC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C2CC2)ccc1F |r,c:14| Show InChI InChI=1S/C25H27F3N4O2/c1-23(14-24(34-22(29)32-23)8-10-25(27,28)11-9-24)18-12-17(5-6-19(18)26)31-21(33)20-7-4-16(13-30-20)15-2-3-15/h4-7,12-13,15H,2-3,8-11,14H2,1H3,(H2,29,32)(H,31,33)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258276 (US9493485, 8-112) Show SMILES CC#Cc1cncc(c1)-c1csc(c1)C1(C)CC2(COC2)OC(N)=N1 |c:26| Show InChI InChI=1S/C19H19N3O2S/c1-3-4-13-5-14(8-21-7-13)15-6-16(25-9-15)18(2)10-19(11-23-12-19)24-17(20)22-18/h5-9H,10-12H2,1-2H3,(H2,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258300 (US9493485, 9-141) Show SMILES C[C@]1(CC2(CCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1F |r,c:10| Show InChI InChI=1S/C21H21ClFN3O2/c1-20(12-21(9-2-10-21)28-19(24)26-20)16-11-15(7-8-17(16)23)25-18(27)13-3-5-14(22)6-4-13/h3-8,11H,2,9-10,12H2,1H3,(H2,24,26)(H,25,27)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.5	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258272 (US9493485, 8-108) Show SMILES CC#Cc1cncc(c1)-c1cc(sc1C)[C@]1(C)CC2(CCOCC2)OC(N)=N1 |r,c:29| Show InChI InChI=1S/C22H25N3O2S/c1-4-5-16-10-17(13-24-12-16)18-11-19(28-15(18)2)21(3)14-22(27-20(23)25-21)6-8-26-9-7-22/h10-13H,6-9,14H2,1-3H3,(H2,23,25)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.5	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258279 (US9493485, 9-120) Show SMILES CC1(CC2(CCOCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |c:12| Show InChI InChI=1S/C21H22F2N4O3/c1-20(12-21(30-19(24)27-20)6-8-29-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258319 (US9493485, 9-160) Show SMILES CC1(N=C(N)OC2(CCC2)C1(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |t:2| Show InChI InChI=1S/C20H18ClF3N4O2/c1-18(20(23,24)19(7-2-8-19)30-17(25)28-18)13-9-12(4-5-14(13)22)27-16(29)15-6-3-11(21)10-26-15/h3-6,9-10H,2,7-8H2,1H3,(H2,25,28)(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.5	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258274 (US9493485, 8-110) Show SMILES CC#Cc1cncc(c1)-c1csc(c1)[C@]1(C)CC2(CCC(F)(F)CC2)OC(N)=N1 |r,c:30| Show InChI InChI=1S/C22H23F2N3OS/c1-3-4-15-9-16(12-26-11-15)17-10-18(29-13-17)20(2)14-21(28-19(25)27-20)5-7-22(23,24)8-6-21/h9-13H,5-8,14H2,1-2H3,(H2,25,27)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258303 (US9493485, 9-144) Show SMILES C[C@]1(CC2(CCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:10| Show InChI InChI=1S/C20H20F2N4OS/c1-19(11-20(7-2-8-20)28-18(23)26-19)14-9-13(4-5-15(14)22)25-17(27)16-6-3-12(21)10-24-16/h3-6,9-10H,2,7-8,11H2,1H3,(H2,23,26)(H,25,27)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	4.5	37
Imago Pharmaceuticals, Inc. US Patent					Assay Description Compounds are also assessed for BACE1 and Cathepsin D activity using an FP Assay. Compounds to be assessed (e.g. compounds as described in the above ...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258323 (US9493485, 9-164) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)C1(C)N=C(N)OC2(CCC2)C1(F)F |t:22| Show InChI InChI=1S/C20H20F3N5O3/c1-18(20(22,23)19(6-3-7-19)31-17(24)28-18)12-8-11(4-5-13(12)21)27-16(29)14-9-26-15(30-2)10-25-14/h4-5,8-10H,3,6-7H2,1-2H3,(H2,24,28)(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27.5	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258301 (US9493485, 9-142) Show SMILES CC1(CC2(CCCCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |c:12| Show InChI InChI=1S/C22H24F2N4OS/c1-21(13-22(30-20(25)28-21)9-3-2-4-10-22)16-11-15(6-7-17(16)24)27-19(29)18-8-5-14(23)12-26-18/h5-8,11-12H,2-4,9-10,13H2,1H3,(H2,25,28)(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	4.5	37
Imago Pharmaceuticals, Inc. US Patent					Assay Description Compounds are also assessed for BACE1 and Cathepsin D activity using an FP Assay. Compounds to be assessed (e.g. compounds as described in the above ...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258284 (US9493485, 9-125) Show SMILES CC1(CC2(CCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |c:10| Show InChI InChI=1S/C20H20F2N4O2/c1-19(11-20(7-2-8-20)28-18(23)26-19)14-9-13(4-5-15(14)22)25-17(27)16-6-3-12(21)10-24-16/h3-6,9-10H,2,7-8,11H2,1H3,(H2,23,26)(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258307 (US9493485, 9-148) Show SMILES C[C@]1(CC2(CCOCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:12| Show InChI InChI=1S/C21H22F2N4O2S/c1-20(12-21(30-19(24)27-20)6-8-29-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	4.5	37
Imago Pharmaceuticals, Inc. US Patent					Assay Description Compounds are also assessed for BACE1 and Cathepsin D activity using an FP Assay. Compounds to be assessed (e.g. compounds as described in the above ...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258306 (US9493485, 9-147) Show SMILES CC1(CC2(CCOCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |c:12| Show InChI InChI=1S/C21H22F2N4O2S/c1-20(12-21(30-19(24)27-20)6-8-29-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	4.5	37
Imago Pharmaceuticals, Inc. US Patent					Assay Description Compounds are also assessed for BACE1 and Cathepsin D activity using an FP Assay. Compounds to be assessed (e.g. compounds as described in the above ...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258267 (US9493485, 8-103) Show SMILES CC#Cc1cncc(c1)-c1csc(c1)C1(C)CC2(CCC2)OC(N)=N1 |c:26| Show InChI InChI=1S/C20H21N3OS/c1-3-5-14-8-15(11-22-10-14)16-9-17(25-12-16)19(2)13-20(6-4-7-20)24-18(21)23-19/h8-12H,4,6-7,13H2,1-2H3,(H2,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258314 (US9493485, 9-155) Show SMILES CC1(N=C(N)OC2(CCOCC2)C1(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |t:2| Show InChI InChI=1S/C21H20F4N4O3/c1-19(21(24,25)20(32-18(26)29-19)6-8-31-9-7-20)14-10-13(3-4-15(14)23)28-17(30)16-5-2-12(22)11-27-16/h2-5,10-11H,6-9H2,1H3,(H2,26,29)(H,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	7.0	n/a
Imago Pharmaceuticals, Inc. US Patent					Assay Description BACE1 activity can be assessed in an AlphaScreen® assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially di...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258329 (US9493485, 13-182) Show SMILES COc1cccnc1Nc1ccc(F)c(c1)[C@]1(C)CC2(CCOCC2)SC(N)=N1 |r,c:30| Show InChI InChI=1S/C21H25FN4O2S/c1-20(13-21(29-19(23)26-20)7-10-28-11-8-21)15-12-14(5-6-16(15)22)25-18-17(27-2)4-3-9-24-18/h3-6,9,12H,7-8,10-11,13H2,1-2H3,(H2,23,26)(H,24,25)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	32	n/a	n/a	n/a	n/a	4.5	37
Imago Pharmaceuticals, Inc. US Patent					Assay Description Compounds are also assessed for BACE1 and Cathepsin D activity using an FP Assay. Compounds to be assessed (e.g. compounds as described in the above ...				US Patent US9493485 (2016) BindingDB Entry DOI: 10.7270/Q25B01DD
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 178 total )  |  Next  |  Last  >>

Jump to: