Compile Data Set for Download or QSAR

Found 81 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 8035   

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
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230682 (US9340530, 20a | US9340530, 20b) Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)C(O)c1cscn1 |r| Show InChI InChI=1S/C28H25F2N3O3S/c1-16-21(10-9-20-8-7-19(12-32-20)22-6-4-3-5-18(22)11-31)24-17(2)36-26(35)27(24,14-28(16,29)30)25(34)23-13-37-15-33-23/h3-10,12-13,15-17,21,24-25,34H,14H2,1-2H3/b10-9+/t16?,17-,21+,24?,25?,27-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230694 (US9340530, 28) Show SMILES C[C@H]1OC(=O)[C@]2(Cc3nnc(C)o3)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3Cl)C12 |r| Show InChI InChI=1S/C27H26ClF2N3O3/c1-15-20(11-10-19-9-8-18(13-31-19)21-6-4-5-7-22(21)28)24-16(2)35-25(34)26(24,14-27(15,29)30)12-23-33-32-17(3)36-23/h4-11,13,15-16,20,24H,12,14H2,1-3H3/b11-10+/t15-,16+,20-,24?,26+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230745 (US9340530, 29b) Show SMILES C[C@H]1OC(=O)[C@]2(Cc3nnnn3C)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3Cl)C12 |r| Show InChI InChI=1S/C26H26ClF2N5O2/c1-15-19(11-10-18-9-8-17(13-30-18)20-6-4-5-7-21(20)27)23-16(2)36-24(35)25(23,14-26(15,28)29)12-22-31-32-33-34(22)3/h4-11,13,15-16,19,23H,12,14H2,1-3H3/b11-10+/t15-,16+,19-,23?,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230742 (US9340530, 77) Show SMILES C[C@H]1OC(=O)[C@]2(CN)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(C)c3C#N)C12 |r| Show InChI InChI=1S/C26H27F2N3O2/c1-15-5-4-6-21(22(15)11-29)18-7-8-19(31-12-18)9-10-20-16(2)26(27,28)13-25(14-30)23(20)17(3)33-24(25)32/h4-10,12,16-17,20,23H,13-14,30H2,1-3H3/b10-9+/t16-,17+,20-,23?,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230692 (US9340530, 26) Show SMILES C[C@H]1OC(=O)[C@]2(Cc3ncon3)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3Cl)C12 |r| Show InChI InChI=1S/C26H24ClF2N3O3/c1-15-19(10-9-18-8-7-17(12-30-18)20-5-3-4-6-21(20)27)23-16(2)35-24(33)25(23,13-26(15,28)29)11-22-31-14-34-32-22/h3-10,12,14-16,19,23H,11,13H2,1-2H3/b10-9+/t15-,16+,19-,23?,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230688 (US9340530, 23a | US9340530, 23b) Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)C(O)c1ncco1 |r| Show InChI InChI=1S/C28H25F2N3O4/c1-16-21(10-9-20-8-7-19(14-33-20)22-6-4-3-5-18(22)13-31)23-17(2)37-26(35)27(23,15-28(16,29)30)24(34)25-32-11-12-36-25/h3-12,14,16-17,21,23-24,34H,15H2,1-2H3/b10-9+/t16?,17-,21+,23?,24?,27-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230684 (US9340530, 21a | US9340530, 21b) Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)C(O)c1nccs1 |r| Show InChI InChI=1S/C28H25F2N3O3S/c1-16-21(10-9-20-8-7-19(14-33-20)22-6-4-3-5-18(22)13-31)23-17(2)36-26(35)27(23,15-28(16,29)30)24(34)25-32-11-12-37-25/h3-12,14,16-17,21,23-24,34H,15H2,1-2H3/b10-9+/t16?,17-,21+,23?,24?,27-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230682 (US9340530, 20a | US9340530, 20b) Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)C(O)c1cscn1 |r| Show InChI InChI=1S/C28H25F2N3O3S/c1-16-21(10-9-20-8-7-19(12-32-20)22-6-4-3-5-18(22)11-31)24-17(2)36-26(35)27(24,14-28(16,29)30)25(34)23-13-37-15-33-23/h3-10,12-13,15-17,21,24-25,34H,14H2,1-2H3/b10-9+/t16?,17-,21+,24?,25?,27-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230708 (US9340530, 43) Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NCc1cncs1 |r| Show InChI InChI=1S/C28H26F2N4O2S/c1-17-23(10-9-21-8-7-20(12-33-21)24-6-4-3-5-19(24)11-31)25-18(2)36-26(35)27(25,15-28(17,29)30)34-14-22-13-32-16-37-22/h3-10,12-13,16-18,23,25,34H,14-15H2,1-2H3/b10-9+/t17-,18+,23-,25-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230698 (US9340530, 32) Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)n1cc(C)nn1 |r| Show InChI InChI=1S/C27H25F2N5O2/c1-16-14-34(33-32-16)26-15-27(28,29)17(2)22(24(26)18(3)36-25(26)35)11-10-21-9-8-20(13-31-21)23-7-5-4-6-19(23)12-30/h4-11,13-14,17-18,22,24H,15H2,1-3H3/b11-10+/t17?,18-,22+,24?,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230743 (US9340530, 78) Show SMILES C[C@H]1NC(=O)C2CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12 |r| Show InChI InChI=1S/C24H23F2N3O/c1-14-19(22-15(2)29-23(30)21(22)11-24(14,25)26)10-9-18-8-7-17(13-28-18)20-6-4-3-5-16(20)12-27/h3-10,13-15,19,21-22H,11H2,1-2H3,(H,29,30)/b10-9+/t14-,15+,19-,21?,22?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230709 (US9340530, 44) Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NCc1cscn1 |r| Show InChI InChI=1S/C28H26F2N4O2S/c1-17-23(10-9-21-8-7-20(12-32-21)24-6-4-3-5-19(24)11-31)25-18(2)36-26(35)27(25,15-28(17,29)30)34-13-22-14-37-16-33-22/h3-10,12,14,16-18,23,25,34H,13,15H2,1-2H3/b10-9+/t17-,18+,23-,25-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230660 (US9340530, 1) Show SMILES C[C@H]1OC(=O)C2CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12 |r| Show InChI InChI=1S/C24H22F2N2O2/c1-14-19(22-15(2)30-23(29)21(22)11-24(14,25)26)10-9-18-8-7-17(13-28-18)20-6-4-3-5-16(20)12-27/h3-10,13-15,19,21-22H,11H2,1-2H3/b10-9+/t14-,15+,19-,21?,22?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230727 (US9340530, 62) Show SMILES [H][C@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NC(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C31H26F3N3O3/c1-18-25(14-13-24-12-9-22(16-36-24)26-6-4-3-5-21(26)15-35)27-19(2)40-29(39)30(27,17-31(18,33)34)37-28(38)20-7-10-23(32)11-8-20/h3-14,16,18-19,25,27H,17H2,1-2H3,(H,37,38)/b14-13+/t18-,19-,25+,27-,30+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230686 (US9340530, 22a | US9340530, 22b) Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)C(O)c1cocn1 |r| Show InChI InChI=1S/C28H25F2N3O4/c1-16-21(10-9-20-8-7-19(12-32-20)22-6-4-3-5-18(22)11-31)24-17(2)37-26(35)27(24,14-28(16,29)30)25(34)23-13-36-15-33-23/h3-10,12-13,15-17,21,24-25,34H,14H2,1-2H3/b10-9+/t16?,17-,21+,24?,25?,27-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230670 (US9340530, 8) Show SMILES C[C@H]1OC(=O)[C@]2(O)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12 |r| Show InChI InChI=1S/C24H22F2N2O3/c1-14-19(21-15(2)31-22(29)23(21,30)13-24(14,25)26)10-9-18-8-7-17(12-28-18)20-6-4-3-5-16(20)11-27/h3-10,12,14-15,19,21,30H,13H2,1-2H3/b10-9+/t14-,15+,19-,21?,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230695 (US9340530, 29a) Show SMILES C[C@H]1OC(=O)[C@]2(Cc3nnn(C)n3)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3Cl)C12 |r| Show InChI InChI=1S/C26H26ClF2N5O2/c1-15-19(11-10-18-9-8-17(13-30-18)20-6-4-5-7-21(20)27)23-16(2)36-24(35)25(23,14-26(15,28)29)12-22-31-33-34(3)32-22/h4-11,13,15-16,19,23H,12,14H2,1-3H3/b11-10+/t15-,16+,19-,23?,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230704 (US9340530, 39) Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)NCc1nccs1 |r| Show InChI InChI=1S/C28H26F2N4O2S/c1-17-22(10-9-21-8-7-20(14-33-21)23-6-4-3-5-19(23)13-31)25-18(2)36-26(35)27(25,16-28(17,29)30)34-15-24-32-11-12-37-24/h3-12,14,17-18,22,25,34H,15-16H2,1-2H3/b10-9+/t17?,18-,22+,25?,27+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230686 (US9340530, 22a | US9340530, 22b) Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)C(O)c1cocn1 |r| Show InChI InChI=1S/C28H25F2N3O4/c1-16-21(10-9-20-8-7-19(12-32-20)22-6-4-3-5-18(22)11-31)24-17(2)37-26(35)27(24,14-28(16,29)30)25(34)23-13-36-15-33-23/h3-10,12-13,15-17,21,24-25,34H,14H2,1-2H3/b10-9+/t16?,17-,21+,24?,25?,27-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230728 (US9340530, 63) Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C31H27F2N3O3/c1-19-25(15-14-24-13-12-23(17-35-24)26-11-7-6-10-22(26)16-34)27-20(2)39-29(38)30(27,18-31(19,32)33)36-28(37)21-8-4-3-5-9-21/h3-15,17,19-20,25,27H,18H2,1-2H3,(H,36,37)/b15-14+/t19-,20+,25-,27-,30-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230741 (US9340530, 76) Show SMILES C[C@H]1OC(=O)[C@]2(CN)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12 |r| Show InChI InChI=1S/C25H25F2N3O2/c1-15-20(22-16(2)32-23(31)24(22,14-29)13-25(15,26)27)10-9-19-8-7-18(12-30-19)21-6-4-3-5-17(21)11-28/h3-10,12,15-16,20,22H,13-14,29H2,1-2H3/b10-9+/t15-,16+,20-,22?,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230707 (US9340530, 42) Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)NCc1cocn1 |r| Show InChI InChI=1S/C28H26F2N4O3/c1-17-23(10-9-21-8-7-20(12-32-21)24-6-4-3-5-19(24)11-31)25-18(2)37-26(35)27(25,15-28(17,29)30)34-13-22-14-36-16-33-22/h3-10,12,14,16-18,23,25,34H,13,15H2,1-2H3/b10-9+/t17?,18-,23+,25?,27+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230737 (US9340530, 72) Show SMILES CO[C@@]12CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@@H]1[C@@H](C)OC2=O |r| Show InChI InChI=1S/C25H24F2N2O3/c1-15-20(22-16(2)32-23(30)24(22,31-3)14-25(15,26)27)11-10-19-9-8-18(13-29-19)21-7-5-4-6-17(21)12-28/h4-11,13,15-16,20,22H,14H2,1-3H3/b11-10+/t15-,16+,20-,22-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230684 (US9340530, 21a | US9340530, 21b) Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)C(O)c1nccs1 |r| Show InChI InChI=1S/C28H25F2N3O3S/c1-16-21(10-9-20-8-7-19(14-33-20)22-6-4-3-5-18(22)13-31)23-17(2)36-26(35)27(23,15-28(16,29)30)24(34)25-32-11-12-37-25/h3-12,14,16-17,21,23-24,34H,15H2,1-2H3/b10-9+/t16?,17-,21+,23?,24?,27-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230677 (US9340530, 15) Show SMILES C[C@H]1OC(=O)[C@]2(CO)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12 |r| Show InChI InChI=1S/C25H24F2N2O3/c1-15-20(22-16(2)32-23(31)24(22,14-30)13-25(15,26)27)10-9-19-8-7-18(12-29-19)21-6-4-3-5-17(21)11-28/h3-10,12,15-16,20,22,30H,13-14H2,1-2H3/b10-9+/t15-,16+,20-,22?,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230666 (US9340530, 4) Show SMILES C[C@H]1OC(=O)C2CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3Cl)C12 |r| Show InChI InChI=1S/C23H22ClF2NO2/c1-13-17(21-14(2)29-22(28)19(21)11-23(13,25)26)10-9-16-8-7-15(12-27-16)18-5-3-4-6-20(18)24/h3-10,12-14,17,19,21H,11H2,1-2H3/b10-9+/t13-,14+,17-,19?,21?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230730 (US9340530, 65) Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NC(=O)c1cccc(c1)C#N |r| Show InChI InChI=1S/C32H26F2N4O3/c1-19-26(13-12-25-11-10-24(17-37-25)27-9-4-3-7-23(27)16-36)28-20(2)41-30(40)31(28,18-32(19,33)34)38-29(39)22-8-5-6-21(14-22)15-35/h3-14,17,19-20,26,28H,18H2,1-2H3,(H,38,39)/b13-12+/t19-,20+,26-,28-,31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230715 (US9340530, 50) Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NCC1CC1 |r| Show InChI InChI=1S/C28H29F2N3O2/c1-17-23(12-11-22-10-9-21(15-32-22)24-6-4-3-5-20(24)13-31)25-18(2)35-26(34)27(25,16-28(17,29)30)33-14-19-7-8-19/h3-6,9-12,15,17-19,23,25,33H,7-8,14,16H2,1-2H3/b12-11+/t17-,18+,23-,25-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230722 (US9340530, 57) Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NC(=O)c1nccs1 |r| Show InChI InChI=1S/C28H24F2N4O3S/c1-16-21(10-9-20-8-7-19(14-33-20)22-6-4-3-5-18(22)13-31)23-17(2)37-26(36)27(23,15-28(16,29)30)34-24(35)25-32-11-12-38-25/h3-12,14,16-17,21,23H,15H2,1-2H3,(H,34,35)/b10-9+/t16-,17+,21-,23-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230729 (US9340530, 64) Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NC(=O)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C32H26F2N4O3/c1-19-26(14-13-25-12-11-24(17-37-25)27-6-4-3-5-23(27)16-36)28-20(2)41-30(40)31(28,18-32(19,33)34)38-29(39)22-9-7-21(15-35)8-10-22/h3-14,17,19-20,26,28H,18H2,1-2H3,(H,38,39)/b14-13+/t19-,20+,26-,28-,31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230723 (US9340530, 58) Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NC(=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C31H26F3N3O3/c1-18-25(13-12-24-11-10-22(16-36-24)26-9-4-3-6-21(26)15-35)27-19(2)40-29(39)30(27,17-31(18,33)34)37-28(38)20-7-5-8-23(32)14-20/h3-14,16,18-19,25,27H,17H2,1-2H3,(H,37,38)/b13-12+/t18-,19+,25-,27-,30-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230724 (US9340530, 59) Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NC(=O)c1ccc(Cl)nc1 |r| Show InChI InChI=1S/C30H25ClF2N4O3/c1-17-23(11-10-22-9-7-20(14-35-22)24-6-4-3-5-19(24)13-34)26-18(2)40-28(39)29(26,16-30(17,32)33)37-27(38)21-8-12-25(31)36-15-21/h3-12,14-15,17-18,23,26H,16H2,1-2H3,(H,37,38)/b11-10+/t17-,18+,23-,26-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230681 (US9340530, 19) Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)C(O)c1ccccn1 |r| Show InChI InChI=1S/C30H27F2N3O3/c1-18-23(13-12-22-11-10-21(16-35-22)24-8-4-3-7-20(24)15-33)26-19(2)38-28(37)29(26,17-30(18,31)32)27(36)25-9-5-6-14-34-25/h3-14,16,18-19,23,26-27,36H,17H2,1-2H3/b13-12+/t18?,19-,23+,26?,27?,29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230713 (US9340530, 48) Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NCc1nccn1C |r| Show InChI InChI=1S/C29H29F2N5O2/c1-18-23(11-10-22-9-8-21(15-34-22)24-7-5-4-6-20(24)14-32)26-19(2)38-27(37)28(26,17-29(18,30)31)35-16-25-33-12-13-36(25)3/h4-13,15,18-19,23,26,35H,16-17H2,1-3H3/b11-10+/t18-,19+,23-,26-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230688 (US9340530, 23a | US9340530, 23b) Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)C(O)c1ncco1 |r| Show InChI InChI=1S/C28H25F2N3O4/c1-16-21(10-9-20-8-7-19(14-33-20)22-6-4-3-5-18(22)13-31)23-17(2)37-26(35)27(23,15-28(16,29)30)24(34)25-32-11-12-36-25/h3-12,14,16-17,21,23-24,34H,15H2,1-2H3/b10-9+/t16?,17-,21+,23?,24?,27-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230711 (US9340530, 46) Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NCc1ccccn1 |r| Show InChI InChI=1S/C30H28F2N4O2/c1-19-25(13-12-23-11-10-22(16-35-23)26-9-4-3-7-21(26)15-33)27-20(2)38-28(37)29(27,18-30(19,31)32)36-17-24-8-5-6-14-34-24/h3-14,16,19-20,25,27,36H,17-18H2,1-2H3/b13-12+/t19-,20+,25-,27-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230696 (US9340530, 30 | US9340530, 31) Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)n1cnnn1 |r| Show InChI InChI=1S/C25H22F2N6O2/c1-15-20(10-9-19-8-7-18(12-29-19)21-6-4-3-5-17(21)11-28)22-16(2)35-23(34)24(22,13-25(15,26)27)33-14-30-31-32-33/h3-10,12,14-16,20,22H,13H2,1-2H3/b10-9+/t15-,16+,20-,22?,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230738 (US9340530, 73) Show SMILES C[C@H]1OC(=O)[C@]2(N)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(C)c3C#N)C12 |r| Show InChI InChI=1S/C25H25F2N3O2/c1-14-5-4-6-20(21(14)11-28)17-7-8-18(30-12-17)9-10-19-15(2)25(26,27)13-24(29)22(19)16(3)32-23(24)31/h4-10,12,15-16,19,22H,13,29H2,1-3H3/b10-9+/t15-,16+,19-,22?,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230691 (US9340530, 25) Show SMILES C[C@H]1OC(=O)[C@]2(CC#N)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3Cl)C12 |r| Show InChI InChI=1S/C25H23ClF2N2O2/c1-15-19(22-16(2)32-23(31)24(22,11-12-29)14-25(15,27)28)10-9-18-8-7-17(13-30-18)20-5-3-4-6-21(20)26/h3-10,13,15-16,19,22H,11,14H2,1-2H3/b10-9+/t15-,16+,19-,22?,24+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230680 (US9340530, 18) Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)C(=O)NC1CCC1 |r| Show InChI InChI=1S/C29H29F2N3O3/c1-17-23(13-12-21-11-10-20(15-33-21)24-9-4-3-6-19(24)14-32)25-18(2)37-27(36)28(25,16-29(17,30)31)26(35)34-22-7-5-8-22/h3-4,6,9-13,15,17-18,22-23,25H,5,7-8,16H2,1-2H3,(H,34,35)/b13-12+/t17?,18-,23+,25?,28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230673 (US9340530, 11) Show SMILES COC(=O)[C@@]12CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)C1[C@@H](C)OC2=O |r| Show InChI InChI=1S/C25H24F3NO4/c1-14-20(10-9-19-8-7-17(12-29-19)16-5-4-6-18(26)11-16)21-15(2)33-23(31)24(21,22(30)32-3)13-25(14,27)28/h4-12,14-15,20-21H,13H2,1-3H3/b10-9+/t14-,15+,20-,21?,24+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230725 (US9340530, 60) Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NC(=O)c1cc(C)on1 |r| Show InChI InChI=1S/C29H26F2N4O4/c1-16-12-24(35-39-16)26(36)34-28-15-29(30,31)17(2)22(25(28)18(3)38-27(28)37)11-10-21-9-8-20(14-33-21)23-7-5-4-6-19(23)13-32/h4-12,14,17-18,22,25H,15H2,1-3H3,(H,34,36)/b11-10+/t17-,18+,22-,25-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230731 (US9340530, 66) Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NC(=O)C1CC1 |r| Show InChI InChI=1S/C28H27F2N3O3/c1-16-22(12-11-21-10-9-20(14-32-21)23-6-4-3-5-19(23)13-31)24-17(2)36-26(35)27(24,15-28(16,29)30)33-25(34)18-7-8-18/h3-6,9-12,14,16-18,22,24H,7-8,15H2,1-2H3,(H,33,34)/b12-11+/t16-,17+,22-,24-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230732 (US9340530, 67) Show SMILES C[C@H]1OC(=O)[C@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)NC(=O)c1ccn(C)n1 |r| Show InChI InChI=1S/C29H27F2N5O3/c1-17-22(11-10-21-9-8-20(15-33-21)23-7-5-4-6-19(23)14-32)25-18(2)39-27(38)28(25,16-29(17,30)31)34-26(37)24-12-13-36(3)35-24/h4-13,15,17-18,22,25H,16H2,1-3H3,(H,34,37)/b11-10+/t17?,18-,22+,25?,28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230705 (US9340530, 40) Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)NCc1ccncc1 |r| Show InChI InChI=1S/C30H28F2N4O2/c1-19-25(10-9-24-8-7-23(17-35-24)26-6-4-3-5-22(26)15-33)27-20(2)38-28(37)29(27,18-30(19,31)32)36-16-21-11-13-34-14-12-21/h3-14,17,19-20,25,27,36H,16,18H2,1-2H3/b10-9+/t19?,20-,25+,27?,29+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230702 (US9340530, 36) Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)NC1CCC1 |r| Show InChI InChI=1S/C28H29F2N3O2/c1-17-23(13-12-21-11-10-20(15-32-21)24-9-4-3-6-19(24)14-31)25-18(2)35-26(34)27(25,16-28(17,29)30)33-22-7-5-8-22/h3-4,6,9-13,15,17-18,22-23,25,33H,5,7-8,16H2,1-2H3/b13-12+/t17-,18+,23-,25?,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230717 (US9340530, 52) Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NCC(O)CCl |r| Show InChI InChI=1S/C27H28ClF2N3O3/c1-16-22(10-9-20-8-7-19(13-32-20)23-6-4-3-5-18(23)12-31)24-17(2)36-25(35)26(24,15-27(16,29)30)33-14-21(34)11-28/h3-10,13,16-17,21-22,24,33-34H,11,14-15H2,1-2H3/b10-9+/t16-,17+,21?,22-,24-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230701 (US9340530, 35) Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)NO |r| Show InChI InChI=1S/C24H23F2N3O3/c1-14-19(21-15(2)32-22(30)23(21,29-31)13-24(14,25)26)10-9-18-8-7-17(12-28-18)20-6-4-3-5-16(20)11-27/h3-10,12,14-15,19,21,29,31H,13H2,1-2H3/b10-9+/t14-,15+,19-,21?,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230710 (US9340530, 45) Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NCc1cnccn1 |r| Show InChI InChI=1S/C29H27F2N5O2/c1-18-24(10-9-22-8-7-21(14-35-22)25-6-4-3-5-20(25)13-32)26-19(2)38-27(37)28(26,17-29(18,30)31)36-16-23-15-33-11-12-34-23/h3-12,14-15,18-19,24,26,36H,16-17H2,1-2H3/b10-9+/t18-,19+,24-,26-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230671 (US9340530, 9) Show SMILES C[C@H]1OC(=O)[C@]2(O)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3OC(F)(F)F)C12 |r| Show InChI InChI=1S/C24H22F5NO4/c1-13-17(20-14(2)33-21(31)22(20,32)12-23(13,25)26)10-9-16-8-7-15(11-30-16)18-5-3-4-6-19(18)34-24(27,28)29/h3-11,13-14,17,20,32H,12H2,1-2H3/b10-9+/t13-,14+,17-,20?,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair

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