Compile Data Set for Download or QSAR

Found 1877 hits with Last Name = 'biftu' and Initial = 't'   

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
Squalene synthase (Rattus norvegicus)	BDBM50038096 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29?,33?,34?,35?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.0780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of squalene synthase in rat liver.				Bioorg Med Chem Lett 3: 2029-2034 (1993) Article DOI: 10.1016/S0960-894X(01)81008-8 BindingDB Entry DOI: 10.7270/Q22J6BSG
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50003020 (MK-3102 | OMARIGLIPTIN | US10155775, Omarigliptin ...) Show SMILES CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r| Show InChI InChI=1S/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Competitive reversible inhibition of DPP4 (unknown origin)				J Med Chem 57: 3205-12 (2014) Article DOI: 10.1021/jm401992e BindingDB Entry DOI: 10.7270/Q2WD423H
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM247276 (US9447085, 1) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C17H17ClFN5O2S2/c1-17(9-28(25,26)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(27)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,27)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	-52.2	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....				US Patent US9447085 (2016) BindingDB Entry DOI: 10.7270/Q2348J9M
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252994 (US9469608, 23-4b) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1NCc2ccccc12 |r| Show InChI InChI=1S/C22H25ClN4O2/c23-17-8-7-14(11-24)16(10-17)13-26-21(28)19-6-3-9-27(19)22(29)20-18-5-2-1-4-15(18)12-25-20/h1-2,4-5,7-8,10,19-20,25H,3,6,9,11-13,24H2,(H,26,28)/t19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Homo sapiens (Human))	BDBM50002827 (1-{3-(3-Hydroxy-propoxy)-2-propoxy-5-[(2S,5S)-5-(3...) Show SMILES CCCOc1c(OCCCO)cc(cc1S(=O)(=O)CC(C)=O)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C28H38O10S/c1-6-11-37-28-25(36-12-7-10-29)15-20(16-26(28)39(31,32)17-18(2)30)22-9-8-21(38-22)19-13-23(33-3)27(35-5)24(14-19)34-4/h13-16,21-22,29H,6-12,17H2,1-5H3/t21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of the binding of [3H]C18-Platelet activating factor to human platelet membrane preparation				J Med Chem 35: 3474-82 (1992) BindingDB Entry DOI: 10.7270/Q2445N3B
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM247281 (US9447085, 4b) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(F)cn2)ccc1F |r| Show InChI InChI=1S/C17H17F2N5O2S2/c1-17(9-28(25,26)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(27)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,27)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	-50.5	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....				US Patent US9447085 (2016) BindingDB Entry DOI: 10.7270/Q2348J9M
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM247292 (US9447085, 8) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(Cl)cn2)cc(F)c1F |r| Show InChI InChI=1S/C17H16ClF2N5O2S2/c1-17(8-29(26,27)25(2)16(21)24-17)11-5-10(6-12(19)14(11)20)23-15(28)13-4-3-9(18)7-22-13/h3-7H,8H2,1-2H3,(H2,21,24)(H,23,28)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	-50.5	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....				US Patent US9447085 (2016) BindingDB Entry DOI: 10.7270/Q2348J9M
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM247278 (US9447085, 3) Show SMILES COCC(=S)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r| Show InChI InChI=1S/C14H19FN4O3S2/c1-14(8-24(20,21)19(2)13(16)18-14)10-6-9(4-5-11(10)15)17-12(23)7-22-3/h4-6H,7-8H2,1-3H3,(H2,16,18)(H,17,23)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	-50.5	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....				US Patent US9447085 (2016) BindingDB Entry DOI: 10.7270/Q2348J9M
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM253008 (US9469608, 36-3) Show SMILES OC1(CCc2cccnc12)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C22H22ClN7O3/c23-16-5-6-17(30-13-26-27-28-30)15(11-16)12-25-20(31)18-4-2-10-29(18)21(32)22(33)8-7-14-3-1-9-24-19(14)22/h1,3,5-6,9,11,13,18,33H,2,4,7-8,10,12H2,(H,25,31)/t18-,22?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Homo sapiens (Human))	BDBM50002828 (1-{3-(3-Morpholin-4-yl-propoxy)-2-propoxy-5-[(2S,5...) Show SMILES CCCOc1c(OCCCN2CCOCC2)cc(cc1S(=O)(=O)CC(C)=O)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C32H45NO10S/c1-6-13-42-32-29(41-14-7-10-33-11-15-40-16-12-33)19-24(20-30(32)44(35,36)21-22(2)34)26-9-8-25(43-26)23-17-27(37-3)31(39-5)28(18-23)38-4/h17-20,25-26H,6-16,21H2,1-5H3/t25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of the binding of [3H]C18-Platelet activating factor to human platelet membrane preparation				J Med Chem 35: 3474-82 (1992) BindingDB Entry DOI: 10.7270/Q2445N3B
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM253006 (US9469608, 34-7) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCN1C(=O)C1NCc2ccccc12 |r| Show InChI InChI=1S/C21H23ClN4O2/c22-16-6-5-13(10-23)15(9-16)12-25-20(27)18-7-8-26(18)21(28)19-17-4-2-1-3-14(17)11-24-19/h1-6,9,18-19,24H,7-8,10-12,23H2,(H,25,27)/t18-,19?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Homo sapiens (Human))	BDBM50002827 (1-{3-(3-Hydroxy-propoxy)-2-propoxy-5-[(2S,5S)-5-(3...) Show SMILES CCCOc1c(OCCCO)cc(cc1S(=O)(=O)CC(C)=O)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C28H38O10S/c1-6-11-37-28-25(36-12-7-10-29)15-20(16-26(28)39(31,32)17-18(2)30)22-9-8-21(38-22)19-13-23(33-3)27(35-5)24(14-19)34-4/h13-16,21-22,29H,6-12,17H2,1-5H3/t21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro effect on inhibition of the binding of [3H]C18-Platelet activating factor to human PMN membranes preparation				J Med Chem 35: 3474-82 (1992) BindingDB Entry DOI: 10.7270/Q2445N3B
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Homo sapiens (Human))	BDBM50002824 ((S)-5-{3-Methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-tri...) Show SMILES CCCOc1c(OC)cc(cc1S(=O)(=O)C[C@@H](C)CCCO)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C29H42O9S/c1-7-13-37-29-26(35-5)16-21(17-27(29)39(31,32)18-19(2)9-8-12-30)23-11-10-22(38-23)20-14-24(33-3)28(36-6)25(15-20)34-4/h14-17,19,22-23,30H,7-13,18H2,1-6H3/t19-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of the binding of [3H]C18-Platelet activating factor to human platelet membrane preparation				J Med Chem 35: 3474-82 (1992) BindingDB Entry DOI: 10.7270/Q2445N3B
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM247282 (US9447085, 4c) Show SMILES COc1cnc(cn1)C(=S)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r| Show InChI InChI=1S/C17H19FN6O3S2/c1-17(9-29(25,26)24(2)16(19)23-17)11-6-10(4-5-12(11)18)22-15(28)13-7-21-14(27-3)8-20-13/h4-8H,9H2,1-3H3,(H2,19,23)(H,22,28)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	-49.5	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...				US Patent US9447085 (2016) BindingDB Entry DOI: 10.7270/Q2348J9M
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Homo sapiens (Human))	BDBM50002826 (1-{3-(3-Imidazol-1-yl-propoxy)-2-propoxy-5-[(2S,5S...) Show SMILES CCCOc1c(OCCCn2ccnc2)cc(cc1S(=O)(=O)CC(C)=O)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C31H40N2O9S/c1-6-13-41-31-28(40-14-7-11-33-12-10-32-20-33)17-23(18-29(31)43(35,36)19-21(2)34)25-9-8-24(42-25)22-15-26(37-3)30(39-5)27(16-22)38-4/h10,12,15-18,20,24-25H,6-9,11,13-14,19H2,1-5H3/t24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of the binding of [3H]C18-Platelet activating factor to human platelet membrane preparation				J Med Chem 35: 3474-82 (1992) BindingDB Entry DOI: 10.7270/Q2445N3B
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM247289 (US9447085, 12) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(F)cn2)cc(F)c1F |r| Show InChI InChI=1S/C17H16F3N5O2S2/c1-17(8-29(26,27)25(2)16(21)24-17)11-5-10(6-12(19)14(11)20)23-15(28)13-4-3-9(18)7-22-13/h3-7H,8H2,1-2H3,(H2,21,24)(H,23,28)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	-49.5	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....				US Patent US9447085 (2016) BindingDB Entry DOI: 10.7270/Q2348J9M
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230672 (US9340530, 10) Show SMILES C[C@H]1OC(=O)[C@]2(O)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)C12 |r| Show InChI InChI=1S/C23H22F3NO3/c1-13-19(20-14(2)30-21(28)22(20,29)12-23(13,25)26)9-8-18-7-6-16(11-27-18)15-4-3-5-17(24)10-15/h3-11,13-14,19-20,29H,12H2,1-2H3/b9-8+/t13-,14+,19-,20?,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Thrombin receptor antagonists were screened using a modification of the thrombin receptor radioligand binding assay of Ahn et al. (Ahn et al., Mol. P...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230664 (US9340530, 2) Show SMILES C[C@H]1OC(=O)C2CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)C12 |r| Show InChI InChI=1S/C23H22F3NO2/c1-13-19(21-14(2)29-22(28)20(21)11-23(13,25)26)9-8-18-7-6-16(12-27-18)15-4-3-5-17(24)10-15/h3-10,12-14,19-21H,11H2,1-2H3/b9-8+/t13-,14+,19-,20?,21?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Thrombin receptor antagonists were screened using a modification of the thrombin receptor radioligand binding assay of Ahn et al. (Ahn et al., Mol. P...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230675 (US9340530, 13) Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)C12)C(=O)NCCO |r| Show InChI InChI=1S/C26H27F3N2O4/c1-15-21(9-8-20-7-6-18(13-31-20)17-4-3-5-19(27)12-17)22-16(2)35-24(34)25(22,14-26(15,28)29)23(33)30-10-11-32/h3-9,12-13,15-16,21-22,32H,10-11,14H2,1-2H3,(H,30,33)/b9-8+/t15-,16+,21-,22?,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Thrombin receptor antagonists were screened using a modification of the thrombin receptor radioligand binding assay of Ahn et al. (Ahn et al., Mol. P...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Homo sapiens (Human))	BDBM50002823 (2-{3-Methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-trimeth...) Show SMILES CCCOc1c(OC)cc(cc1S(=O)(=O)CCO)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C25H34O9S/c1-6-10-33-25-22(31-4)14-17(15-23(25)35(27,28)11-9-26)19-8-7-18(34-19)16-12-20(29-2)24(32-5)21(13-16)30-3/h12-15,18-19,26H,6-11H2,1-5H3/t18-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro effect on inhibition of the binding of [3H]C18-Platelet activating factor to human PMN membranes preparation				J Med Chem 35: 3474-82 (1992) BindingDB Entry DOI: 10.7270/Q2445N3B
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM253013 (US9469608, 39-10b) Show SMILES NCc1ccc(Cl)cc1CNC(=O)C1CCCN1C(=O)[C@@H]1NS(=O)(=O)c2ccccc12 |r| Show InChI InChI=1S/C21H23ClN4O4S/c22-15-8-7-13(11-23)14(10-15)12-24-20(27)17-5-3-9-26(17)21(28)19-16-4-1-2-6-18(16)31(29,30)25-19/h1-2,4,6-8,10,17,19,25H,3,5,9,11-12,23H2,(H,24,27)/t17?,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.40	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM253012 (US9469608, 39-10a) Show SMILES NCc1ccc(Cl)cc1CNC(=O)C1CCCN1C(=O)[C@H]1NS(=O)(=O)c2ccccc12 |r| Show InChI InChI=1S/C21H23ClN4O4S/c22-15-8-7-13(11-23)14(10-15)12-24-20(27)17-5-3-9-26(17)21(28)19-16-4-1-2-6-18(16)31(29,30)25-19/h1-2,4,6-8,10,17,19,25H,3,5,9,11-12,23H2,(H,24,27)/t17?,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.40	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252985 (US9469608, 13-10) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(c[nH]1)-c1ccncc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.40	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Homo sapiens (Human))	BDBM50002824 ((S)-5-{3-Methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-tri...) Show SMILES CCCOc1c(OC)cc(cc1S(=O)(=O)C[C@@H](C)CCCO)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C29H42O9S/c1-7-13-37-29-26(35-5)16-21(17-27(29)39(31,32)18-19(2)9-8-12-30)23-11-10-22(38-23)20-14-24(33-3)28(36-6)25(15-20)34-4/h14-17,19,22-23,30H,7-13,18H2,1-6H3/t19-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro effect on inhibition of the binding of [3H]C18-Platelet activating factor to human PMN membranes preparation				J Med Chem 35: 3474-82 (1992) BindingDB Entry DOI: 10.7270/Q2445N3B
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Homo sapiens (Human))	BDBM50002825 ((R)-5-{3-Methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-tri...) Show SMILES CCCOc1c(OC)cc(cc1S(=O)(=O)C[C@H](C)CCCO)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C29H42O9S/c1-7-13-37-29-26(35-5)16-21(17-27(29)39(31,32)18-19(2)9-8-12-30)23-11-10-22(38-23)20-14-24(33-3)28(36-6)25(15-20)34-4/h14-17,19,22-23,30H,7-13,18H2,1-6H3/t19-,22+,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of the binding of [3H]C18-Platelet activating factor to human platelet membrane preparation				J Med Chem 35: 3474-82 (1992) BindingDB Entry DOI: 10.7270/Q2445N3B
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Homo sapiens (Human))	BDBM50002825 ((R)-5-{3-Methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-tri...) Show SMILES CCCOc1c(OC)cc(cc1S(=O)(=O)C[C@H](C)CCCO)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C29H42O9S/c1-7-13-37-29-26(35-5)16-21(17-27(29)39(31,32)18-19(2)9-8-12-30)23-11-10-22(38-23)20-14-24(33-3)28(36-6)25(15-20)34-4/h14-17,19,22-23,30H,7-13,18H2,1-6H3/t19-,22+,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of the binding of [3H]C18-Platelet activating factor to human platelet membrane preparation				J Med Chem 35: 3474-82 (1992) BindingDB Entry DOI: 10.7270/Q2445N3B
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM253004 (US9469608, 32-7) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)CCCc2cccnc12 |r| Show InChI InChI=1S/C23H27ClN4O3/c24-18-8-7-16(13-25)17(12-18)14-27-21(29)19-6-3-11-28(19)22(30)23(31)9-1-4-15-5-2-10-26-20(15)23/h2,5,7-8,10,12,19,31H,1,3-4,6,9,11,13-14,25H2,(H,27,29)/t19-,23?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.90	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM247282 (US9447085, 4c) Show SMILES COc1cnc(cn1)C(=S)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r| Show InChI InChI=1S/C17H19FN6O3S2/c1-17(9-29(25,26)24(2)16(19)23-17)11-6-10(4-5-12(11)18)22-15(28)13-7-21-14(27-3)8-20-13/h4-8H,9H2,1-3H3,(H2,19,23)(H,22,28)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	-48.7	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....				US Patent US9447085 (2016) BindingDB Entry DOI: 10.7270/Q2348J9M
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM253003 (US9469608, 31-7) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)CCCc2cnccc12 |r| Show InChI InChI=1S/C23H27ClN4O3/c24-18-6-5-15(12-25)17(11-18)14-27-21(29)20-4-2-10-28(20)22(30)23(31)8-1-3-16-13-26-9-7-19(16)23/h5-7,9,11,13,20,31H,1-4,8,10,12,14,25H2,(H,27,29)/t20-,23?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.80	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM247287 (US9447085, 10) Show SMILES COCC(=S)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r| Show InChI InChI=1S/C14H18F2N4O3S2/c1-14(7-25(21,22)20(2)13(17)19-14)9-4-8(5-10(15)12(9)16)18-11(24)6-23-3/h4-5H,6-7H2,1-3H3,(H2,17,19)(H,18,24)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	-47.7	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....				US Patent US9447085 (2016) BindingDB Entry DOI: 10.7270/Q2348J9M
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Homo sapiens (Human))	BDBM50002823 (2-{3-Methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-trimeth...) Show SMILES CCCOc1c(OC)cc(cc1S(=O)(=O)CCO)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C25H34O9S/c1-6-10-33-25-22(31-4)14-17(15-23(25)35(27,28)11-9-26)19-8-7-18(34-19)16-12-20(29-2)24(32-5)21(13-16)30-3/h12-15,18-19,26H,6-11H2,1-5H3/t18-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for it''s ability to inhibit [3H]C18-PAF binding to PMN membrane receptors				Bioorg Med Chem Lett 1: 327-332 (1991) Article DOI: 10.1016/S0960-894X(01)80818-0 BindingDB Entry DOI: 10.7270/Q2TM7BKP
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Homo sapiens (Human))	BDBM50002823 (2-{3-Methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-trimeth...) Show SMILES CCCOc1c(OC)cc(cc1S(=O)(=O)CCO)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C25H34O9S/c1-6-10-33-25-22(31-4)14-17(15-23(25)35(27,28)11-9-26)19-8-7-18(34-19)16-12-20(29-2)24(32-5)21(13-16)30-3/h12-15,18-19,26H,6-11H2,1-5H3/t18-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of the binding of [3H]C18-Platelet activating factor to human platelet membrane preparation				J Med Chem 35: 3474-82 (1992) BindingDB Entry DOI: 10.7270/Q2445N3B
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM247279 (US9447085, 4) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)C(F)F)ccc1F |r| Show InChI InChI=1S/C13H15F3N4O2S2/c1-13(6-24(21,22)20(2)12(17)19-13)8-5-7(3-4-9(8)14)18-11(23)10(15)16/h3-5,10H,6H2,1-2H3,(H2,17,19)(H,18,23)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	-47.3	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....				US Patent US9447085 (2016) BindingDB Entry DOI: 10.7270/Q2348J9M
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM247280 (US9447085, 4a) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(cn2)C(F)(F)F)ccc1F |r| Show InChI InChI=1S/C18H17F4N5O2S2/c1-17(9-31(28,29)27(2)16(23)26-17)12-7-11(4-5-13(12)19)25-15(30)14-6-3-10(8-24-14)18(20,21)22/h3-8H,9H2,1-2H3,(H2,23,26)(H,25,30)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	-47.3	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....				US Patent US9447085 (2016) BindingDB Entry DOI: 10.7270/Q2348J9M
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252990 (US9469608, 20-8) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)CCc2cccnc12 |r| Show InChI InChI=1S/C22H25ClN4O3/c23-17-6-5-15(12-24)16(11-17)13-26-20(28)18-4-2-10-27(18)21(29)22(30)8-7-14-3-1-9-25-19(14)22/h1,3,5-6,9,11,18,30H,2,4,7-8,10,12-13,24H2,(H,26,28)/t18-,22?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.70	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM247291 (US9447085, 14) Show SMILES COc1cnc(cn1)C(=S)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r| Show InChI InChI=1S/C17H18F2N6O3S2/c1-17(8-30(26,27)25(2)16(20)24-17)10-4-9(5-11(18)14(10)19)23-15(29)12-6-22-13(28-3)7-21-12/h4-7H,8H2,1-3H3,(H2,20,24)(H,23,29)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8	-47.0	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...				US Patent US9447085 (2016) BindingDB Entry DOI: 10.7270/Q2348J9M
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM247277 (US9447085, 2) Show SMILES COc1ccc(nc1)C(=S)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r| Show InChI InChI=1S/C18H20FN5O3S2/c1-18(10-29(25,26)24(2)17(20)23-18)13-8-11(4-6-14(13)19)22-16(28)15-7-5-12(27-3)9-21-15/h4-9H,10H2,1-3H3,(H2,20,23)(H,22,28)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8	-47.0	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....				US Patent US9447085 (2016) BindingDB Entry DOI: 10.7270/Q2348J9M
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM247292 (US9447085, 8) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(Cl)cn2)cc(F)c1F |r| Show InChI InChI=1S/C17H16ClF2N5O2S2/c1-17(8-29(26,27)25(2)16(21)24-17)11-5-10(6-12(19)14(11)20)23-15(28)13-4-3-9(18)7-22-13/h3-7H,8H2,1-2H3,(H2,21,24)(H,23,28)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9	-46.7	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...				US Patent US9447085 (2016) BindingDB Entry DOI: 10.7270/Q2348J9M
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Homo sapiens (Human))	BDBM81972 ((S)-(+)-ALPHA-METHYL-1H-IMIDAZOLE-4-ETHANAMINE DIH...) Show SMILES C[C@H](N)Cc1cnc[nH]1 |r| Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of the binding of [3H]C18-Platelet activating factor to human platelet membrane preparation				J Med Chem 35: 3474-82 (1992) BindingDB Entry DOI: 10.7270/Q2445N3B
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM247276 (US9447085, 1) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C17H17ClFN5O2S2/c1-17(9-28(25,26)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(27)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,27)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.10	-46.7	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...				US Patent US9447085 (2016) BindingDB Entry DOI: 10.7270/Q2348J9M
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252995 (US9469608, 24-8) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1COc2ccccc12 |r| Show InChI InChI=1S/C22H24ClN3O3/c23-16-8-7-14(11-24)15(10-16)12-25-21(27)19-5-3-9-26(19)22(28)18-13-29-20-6-2-1-4-17(18)20/h1-2,4,6-8,10,18-19H,3,5,9,11-13,24H2,(H,25,27)/t18?,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.20	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252984 (US9469608, 11-2) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(c[nH]1)C(O)c1ccccn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.70	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM253002 (US9469608, 30-6) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)CCCc2ncccc12 |r| Show InChI InChI=1S/C23H27ClN4O3/c24-17-8-7-15(13-25)16(12-17)14-27-21(29)20-6-3-11-28(20)22(30)23(31)9-1-5-19-18(23)4-2-10-26-19/h2,4,7-8,10,12,20,31H,1,3,5-6,9,11,13-14,25H2,(H,27,29)/t20-,23?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252982 (US9469608, 9-2) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(c[nH]1)C(O)c1cccnc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252991 (US9469608, 21-6) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1OCc2ccccc12 |r| Show InChI InChI=1S/C22H24ClN3O3/c23-17-8-7-14(11-24)16(10-17)12-25-21(27)19-6-3-9-26(19)22(28)20-18-5-2-1-4-15(18)13-29-20/h1-2,4-5,7-8,10,19-20H,3,6,9,11-13,24H2,(H,25,27)/t19-,20?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	15	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM247286 (US9447085, 9) Show SMILES COc1ccc(nc1)C(=S)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r| Show InChI InChI=1S/C18H19F2N5O3S2/c1-18(9-30(26,27)25(2)17(21)24-18)12-6-10(7-13(19)15(12)20)23-16(29)14-5-4-11(28-3)8-22-14/h4-8H,9H2,1-3H3,(H2,21,24)(H,23,29)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	15	-45.4	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....				US Patent US9447085 (2016) BindingDB Entry DOI: 10.7270/Q2348J9M
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252999 (US9469608, 28-6) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)CCc2ccncc12 |r| Show InChI InChI=1S/C22H25ClN4O3/c23-17-4-3-15(11-24)16(10-17)12-26-20(28)19-2-1-9-27(19)21(29)22(30)7-5-14-6-8-25-13-18(14)22/h3-4,6,8,10,13,19,30H,1-2,5,7,9,11-12,24H2,(H,26,28)/t19-,22?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	16	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM247289 (US9447085, 12) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(F)cn2)cc(F)c1F |r| Show InChI InChI=1S/C17H16F3N5O2S2/c1-17(8-29(26,27)25(2)16(21)24-17)11-5-10(6-12(19)14(11)20)23-15(28)13-4-3-9(18)7-22-13/h3-7H,8H2,1-2H3,(H2,21,24)(H,23,28)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17	-45.1	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...				US Patent US9447085 (2016) BindingDB Entry DOI: 10.7270/Q2348J9M
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252980 (US9469608, 7-1) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cc2ccncc2)c[nH]1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM252983 (US9469608, 10-7) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(c[nH]1)C(=O)c1ccccn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair

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