Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50044537   

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))	BDBM50020132 (CHEMBL3288437) Show SMILES [H][C@@]12C[C@]3([H])C[C@@]4(COC(=O)N4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@]1([H])[C@@H](C)OC2=O |r| Show InChI InChI=1S/C29H29N3O4/c1-17-26-24(9-8-21-7-6-19(15-31-21)22-5-3-2-4-18(22)14-30)23-10-11-29(16-35-28(34)32-29)13-20(23)12-25(26)27(33)36-17/h2-9,15,17,20,23-26H,10-13,16H2,1H3,(H,32,34)/b9-8+/t17-,20-,23-,24+,25-,26+,29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR-1 receptor in human platelet membranes after 1 hr by scintillation counting analysis				ACS Med Chem Lett 5: 561-5 (2014) Article DOI: 10.1021/ml500008w BindingDB Entry DOI: 10.7270/Q2B859NM
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50020139 (CHEMBL3288441) Show SMILES [H][C@@]12C[C@]3([H])C[C@]4(COC(=O)N4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@]1([H])[C@@H](C)OC2=O |r| Show InChI InChI=1S/C29H29N3O4/c1-17-26-24(9-8-21-7-6-19(15-31-21)22-5-3-2-4-18(22)14-30)23-10-11-29(16-35-28(34)32-29)13-20(23)12-25(26)27(33)36-17/h2-9,15,17,20,23-26H,10-13,16H2,1H3,(H,32,34)/b9-8+/t17-,20-,23-,24+,25-,26+,29+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR-1 receptor in human platelet membranes after 1 hr by scintillation counting analysis				ACS Med Chem Lett 5: 561-5 (2014) Article DOI: 10.1021/ml500008w BindingDB Entry DOI: 10.7270/Q2B859NM
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50020129 (CHEMBL3288436) Show SMILES [H][C@@]12C[C@]3([H])C[C@@]4(COC(=O)N4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@]1([H])[C@@H](C)OC2=O |r| Show InChI InChI=1S/C28H29FN2O4/c1-16-25-23(8-7-21-6-5-18(14-30-21)17-3-2-4-20(29)11-17)22-9-10-28(15-34-27(33)31-28)13-19(22)12-24(25)26(32)35-16/h2-8,11,14,16,19,22-25H,9-10,12-13,15H2,1H3,(H,31,33)/b8-7+/t16-,19-,22-,23+,24-,25+,28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR-1 receptor in human platelet membranes after 1 hr by scintillation counting analysis				ACS Med Chem Lett 5: 561-5 (2014) Article DOI: 10.1021/ml500008w BindingDB Entry DOI: 10.7270/Q2B859NM
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50020128 (CHEMBL3288435) Show SMILES [H][C@@]12C[C@]3([H])C[C@@]4(COC(=O)N4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@]1([H])[C@@H](C)OC2=O |r| Show InChI InChI=1S/C29H29F3N2O4/c1-16-25-23(8-7-21-6-5-18(14-33-21)17-3-2-4-20(11-17)29(30,31)32)22-9-10-28(15-37-27(36)34-28)13-19(22)12-24(25)26(35)38-16/h2-8,11,14,16,19,22-25H,9-10,12-13,15H2,1H3,(H,34,36)/b8-7+/t16-,19-,22-,23+,24-,25+,28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR-1 receptor in human platelet membranes after 1 hr by scintillation counting analysis				ACS Med Chem Lett 5: 561-5 (2014) Article DOI: 10.1021/ml500008w BindingDB Entry DOI: 10.7270/Q2B859NM
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50020143 (CHEMBL3288443) Show SMILES [H][C@@]12C[C@]3([H])C[C@]4(COC(=O)N4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3ccccc3F)[C@]1([H])[C@@H](C)OC2=O |r| Show InChI InChI=1S/C28H29FN2O4/c1-16-25-22(9-8-19-7-6-17(14-30-19)21-4-2-3-5-24(21)29)20-10-11-28(15-34-27(33)31-28)13-18(20)12-23(25)26(32)35-16/h2-9,14,16,18,20,22-23,25H,10-13,15H2,1H3,(H,31,33)/b9-8+/t16-,18-,20-,22+,23-,25+,28+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR-1 receptor in human platelet membranes after 1 hr by scintillation counting analysis				ACS Med Chem Lett 5: 561-5 (2014) Article DOI: 10.1021/ml500008w BindingDB Entry DOI: 10.7270/Q2B859NM
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50020134 (CHEMBL3288439) Show SMILES [H][C@@]12C[C@]3([H])C[C@]4(COC(=O)N4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@]1([H])[C@@H](C)OC2=O |r| Show InChI InChI=1S/C29H29F3N2O4/c1-16-25-23(8-7-21-6-5-18(14-33-21)17-3-2-4-20(11-17)29(30,31)32)22-9-10-28(15-37-27(36)34-28)13-19(22)12-24(25)26(35)38-16/h2-8,11,14,16,19,22-25H,9-10,12-13,15H2,1H3,(H,34,36)/b8-7+/t16-,19-,22-,23+,24-,25+,28+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR-1 receptor in human platelet membranes after 1 hr by scintillation counting analysis				ACS Med Chem Lett 5: 561-5 (2014) Article DOI: 10.1021/ml500008w BindingDB Entry DOI: 10.7270/Q2B859NM
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50020135 (CHEMBL3288440) Show SMILES [H][C@@]12C[C@]3([H])C[C@]4(COC(=O)N4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@]1([H])[C@@H](C)OC2=O |r| Show InChI InChI=1S/C28H29FN2O4/c1-16-25-23(8-7-21-6-5-18(14-30-21)17-3-2-4-20(29)11-17)22-9-10-28(15-34-27(33)31-28)13-19(22)12-24(25)26(32)35-16/h2-8,11,14,16,19,22-25H,9-10,12-13,15H2,1H3,(H,31,33)/b8-7+/t16-,19-,22-,23+,24-,25+,28+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR-1 receptor in human platelet membranes after 1 hr by scintillation counting analysis				ACS Med Chem Lett 5: 561-5 (2014) Article DOI: 10.1021/ml500008w BindingDB Entry DOI: 10.7270/Q2B859NM
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50020147 (CHEMBL3288445) Show SMILES [H][C@@]12C[C@]3([H])C[C@]4(CNC(=O)O4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@]1([H])[C@@H](C)OC2=O |r| Show InChI InChI=1S/C29H29F3N2O4/c1-16-25-23(8-7-21-6-5-18(14-33-21)17-3-2-4-20(11-17)29(30,31)32)22-9-10-28(15-34-27(36)38-28)13-19(22)12-24(25)26(35)37-16/h2-8,11,14,16,19,22-25H,9-10,12-13,15H2,1H3,(H,34,36)/b8-7+/t16-,19-,22-,23+,24-,25+,28+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR-1 receptor in human platelet membranes after 1 hr by scintillation counting analysis				ACS Med Chem Lett 5: 561-5 (2014) Article DOI: 10.1021/ml500008w BindingDB Entry DOI: 10.7270/Q2B859NM
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50020140 (CHEMBL3288442) Show SMILES [H][C@@]12C[C@]3([H])C[C@]4(COC(=O)N4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C#N)[C@]1([H])[C@@H](C)OC2=O |r| Show InChI InChI=1S/C29H29N3O4/c1-17-26-24(8-7-22-6-5-20(15-31-22)19-4-2-3-18(11-19)14-30)23-9-10-29(16-35-28(34)32-29)13-21(23)12-25(26)27(33)36-17/h2-8,11,15,17,21,23-26H,9-10,12-13,16H2,1H3,(H,32,34)/b8-7+/t17-,21-,23-,24+,25-,26+,29+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR-1 receptor in human platelet membranes after 1 hr by scintillation counting analysis				ACS Med Chem Lett 5: 561-5 (2014) Article DOI: 10.1021/ml500008w BindingDB Entry DOI: 10.7270/Q2B859NM
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50020146 (CHEMBL3288444) Show SMILES [H][C@@]12C[C@]3([H])C[C@]4(COC(=O)N4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3ccccn3)[C@]1([H])[C@@H](C)OC2=O |r| Show InChI InChI=1S/C27H29N3O4/c1-16-24-21(8-7-19-6-5-17(14-29-19)23-4-2-3-11-28-23)20-9-10-27(15-33-26(32)30-27)13-18(20)12-22(24)25(31)34-16/h2-8,11,14,16,18,20-22,24H,9-10,12-13,15H2,1H3,(H,30,32)/b8-7+/t16-,18-,20-,21+,22-,24+,27+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	232	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR-1 receptor in human platelet membranes after 1 hr by scintillation counting analysis				ACS Med Chem Lett 5: 561-5 (2014) Article DOI: 10.1021/ml500008w BindingDB Entry DOI: 10.7270/Q2B859NM
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50020133 (CHEMBL3288438) Show SMILES [H][C@@]12C[C@]3([H])C[C@@]4(COC(=O)N4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C#N)[C@]1([H])[C@@H](C)OC2=O |r| Show InChI InChI=1S/C29H29N3O4/c1-17-26-24(8-7-22-6-5-20(15-31-22)19-4-2-3-18(11-19)14-30)23-9-10-29(16-35-28(34)32-29)13-21(23)12-25(26)27(33)36-17/h2-8,11,15,17,21,23-26H,9-10,12-13,16H2,1H3,(H,32,34)/b8-7+/t17-,21-,23-,24+,25-,26+,29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	267	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR-1 receptor in human platelet membranes after 1 hr by scintillation counting analysis				ACS Med Chem Lett 5: 561-5 (2014) Article DOI: 10.1021/ml500008w BindingDB Entry DOI: 10.7270/Q2B859NM
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50020148 (CHEMBL3288446) Show SMILES [H][C@@]12C[C@]3([H])C[C@@]4(CNC(=O)O4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@]1([H])[C@@H](C)OC2=O |r| Show InChI InChI=1S/C29H29F3N2O4/c1-16-25-23(8-7-21-6-5-18(14-33-21)17-3-2-4-20(11-17)29(30,31)32)22-9-10-28(15-34-27(36)38-28)13-19(22)12-24(25)26(35)37-16/h2-8,11,14,16,19,22-25H,9-10,12-13,15H2,1H3,(H,34,36)/b8-7+/t16-,19-,22-,23+,24-,25+,28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	392	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR-1 receptor in human platelet membranes after 1 hr by scintillation counting analysis				ACS Med Chem Lett 5: 561-5 (2014) Article DOI: 10.1021/ml500008w BindingDB Entry DOI: 10.7270/Q2B859NM
					More data for this Ligand-Target Pair