Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with all data for entry = 50021203   

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))	BDBM50222015 ((1R,3aR,4aS,8aS,9S,9aS)-decahydro-1-methyl-3-oxo-9...) Show SMILES CCOC(=O)N1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)C1 Show InChI InChI=1S/C28H31FN2O4/c1-3-34-28(33)31-12-11-23-20(16-31)14-25-26(17(2)35-27(25)32)24(23)10-9-22-8-7-19(15-30-22)18-5-4-6-21(29)13-18/h4-10,13,15,17,20,23-26H,3,11-12,14,16H2,1-2H3/b10-9+/t17-,20-,23-,24+,25-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50222017 (1R,3aR,4aS,8aS,9S,9aS)-6-(cyclopropylcarbonyl)-9-[...) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CN(CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3ccccc3F)[C@H]12)C(=O)C1CC1 Show InChI InChI=1S/C29H31FN2O3/c1-17-27-24(11-10-21-9-8-19(15-31-21)23-4-2-3-5-26(23)30)22-12-13-32(28(33)18-6-7-18)16-20(22)14-25(27)29(34)35-17/h2-5,8-11,15,17-18,20,22,24-25,27H,6-7,12-14,16H2,1H3/b11-10+/t17-,20-,22-,24+,25-,27+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50222041 ((1R,3aR,4aS,8aS,9S,9aS)-ethyl decahydro-1-methyl-3...) Show SMILES CCOC(=O)N1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2ccccc2F)C1 Show InChI InChI=1S/C28H31FN2O4/c1-3-34-28(33)31-13-12-21-19(16-31)14-24-26(17(2)35-27(24)32)23(21)11-10-20-9-8-18(15-30-20)22-6-4-5-7-25(22)29/h4-11,15,17,19,21,23-24,26H,3,12-14,16H2,1-2H3/b11-10+/t17-,19-,21-,23+,24-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50222015 ((1R,3aR,4aS,8aS,9S,9aS)-decahydro-1-methyl-3-oxo-9...) Show SMILES CCOC(=O)N1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)C1 Show InChI InChI=1S/C28H31FN2O4/c1-3-34-28(33)31-12-11-23-20(16-31)14-25-26(17(2)35-27(25)32)24(23)10-9-22-8-7-19(15-30-22)18-5-4-6-21(29)13-18/h4-10,13,15,17,20,23-26H,3,11-12,14,16H2,1-2H3/b10-9+/t17-,20-,23-,24+,25-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.5	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50222030 ((1R,3aR,4aS,8aS,9S,9aS)-decahydro-1-methyl-3-oxo-9...) Show SMILES CCOC(=O)N1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(c2)C(F)(F)F)C1 Show InChI InChI=1S/C29H31F3N2O4/c1-3-37-28(36)34-12-11-23-20(16-34)14-25-26(17(2)38-27(25)35)24(23)10-9-22-8-7-19(15-33-22)18-5-4-6-21(13-18)29(30,31)32/h4-10,13,15,17,20,23-26H,3,11-12,14,16H2,1-2H3/b10-9+/t17-,20-,23-,24+,25-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50222026 ((1R,3aR,4aS,8aS,9S,9aS)-9-[(E)-2-[5-(2-chloropheny...) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3COCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3ccccc3Cl)[C@H]12 Show InChI InChI=1S/C25H26ClNO3/c1-15-24-21(19-10-11-29-14-17(19)12-22(24)25(28)30-15)9-8-18-7-6-16(13-27-18)20-4-2-3-5-23(20)26/h2-9,13,15,17,19,21-22,24H,10-12,14H2,1H3/b9-8+/t15-,17-,19-,21+,22-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50222022 ((1R,3aR,4aS,8aS,9S,9aS)-9-[(E)-2-[5-(3-fluoropheny...) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CN(CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12)S(C)(=O)=O Show InChI InChI=1S/C26H29FN2O4S/c1-16-25-23(9-8-21-7-6-18(14-28-21)17-4-3-5-20(27)12-17)22-10-11-29(34(2,31)32)15-19(22)13-24(25)26(30)33-16/h3-9,12,14,16,19,22-25H,10-11,13,15H2,1-2H3/b9-8+/t16-,19-,22-,23+,24-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50222043 ((1R,3aR,4aS,8aS,9S,9aS)-6-(cyclopropylcarbonyl)-9-...) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CN(CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12)C(=O)C1CC1 Show InChI InChI=1S/C29H31FN2O3/c1-17-27-25(10-9-23-8-7-20(15-31-23)19-3-2-4-22(30)13-19)24-11-12-32(28(33)18-5-6-18)16-21(24)14-26(27)29(34)35-17/h2-4,7-10,13,15,17-18,21,24-27H,5-6,11-12,14,16H2,1H3/b10-9+/t17-,21-,24-,25+,26-,27+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.5	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50222032 ((1R,3aR,4aS,8aS,9S,9aS)-2-methoxyethyl 9-[(e)-2-[5...) Show SMILES COCCOC(=O)N1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)C1 Show InChI InChI=1S/C29H33FN2O5/c1-18-27-25(9-8-23-7-6-20(16-31-23)19-4-3-5-22(30)14-19)24-10-11-32(29(34)36-13-12-35-2)17-21(24)15-26(27)28(33)37-18/h3-9,14,16,18,21,24-27H,10-13,15,17H2,1-2H3/b9-8+/t18-,21-,24-,25+,26-,27+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16.5	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50222031 ((1R,3aR,4aS,8aS,9S,9aS)-decahydro-1-methyl-9-[(e)-...) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3COCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12 Show InChI InChI=1S/C26H26F3NO3/c1-15-24-22(21-9-10-32-14-18(21)12-23(24)25(31)33-15)8-7-20-6-5-17(13-30-20)16-3-2-4-19(11-16)26(27,28)29/h2-8,11,13,15,18,21-24H,9-10,12,14H2,1H3/b8-7+/t15-,18-,21-,22+,23-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50222034 ((1R,3aR,4aS,8aS,9S,9aS)-N-ethyl-dodecahydro-1-meth...) Show SMILES CCNC(=O)N1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1 |w:20.22| Show InChI InChI=1S/C28H32FN3O3/c1-3-30-28(34)32-12-11-23-20(16-32)14-25-26(17(2)35-27(25)33)24(23)10-9-22-8-7-19(15-31-22)18-5-4-6-21(29)13-18/h4-10,13,15,17,20,23-26H,3,11-12,14,16H2,1-2H3,(H,30,34)/t17-,20-,23-,24+,25-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18.5	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50222013 ((1R,3aR,4aS,8aS,9S,9aS)-9-[(E)-2-[5-(3-chloropheny...) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3COCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(Cl)c3)[C@H]12 Show InChI InChI=1S/C25H26ClNO3/c1-15-24-22(21-9-10-29-14-18(21)12-23(24)25(28)30-15)8-7-20-6-5-17(13-27-20)16-3-2-4-19(26)11-16/h2-8,11,13,15,18,21-24H,9-10,12,14H2,1H3/b8-7+/t15-,18-,21-,22+,23-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50222018 ((1R,3aR,4aS,8aS,9S,9aS)-9-[(E)-2-[5-(2,3-dichlorop...) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3COCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(Cl)c3Cl)[C@H]12 Show InChI InChI=1S/C25H25Cl2NO3/c1-14-23-20(18-9-10-30-13-16(18)11-21(23)25(29)31-14)8-7-17-6-5-15(12-28-17)19-3-2-4-22(26)24(19)27/h2-8,12,14,16,18,20-21,23H,9-11,13H2,1H3/b8-7+/t14-,16-,18-,20+,21-,23+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50222042 ((1R,3aR,4aS,8aS,9S,9aS)-decahydro-1-methyl-9-[(1E)...) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CSCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12 Show InChI InChI=1S/C26H26F3NO2S/c1-15-24-22(21-9-10-33-14-18(21)12-23(24)25(31)32-15)8-7-20-6-5-17(13-30-20)16-3-2-4-19(11-16)26(27,28)29/h2-8,11,13,15,18,21-24H,9-10,12,14H2,1H3/b8-7+/t15-,18-,21-,22+,23-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50222019 ((1R,3aR,4aS,8aS,9S,9aS)-9-[(E)-2-[5-(2-fluoropheny...) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3COCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3ccccc3F)[C@H]12 Show InChI InChI=1S/C25H26FNO3/c1-15-24-21(19-10-11-29-14-17(19)12-22(24)25(28)30-15)9-8-18-7-6-16(13-27-18)20-4-2-3-5-23(20)26/h2-9,13,15,17,19,21-22,24H,10-12,14H2,1H3/b9-8+/t15-,17-,19-,21+,22-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50222039 ((1R,3aR,4aS,8aS,9S,9aS)-phenylmethyl decahydro-1-m...) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CN(CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12)C(=O)OCc1ccccc1 Show InChI InChI=1S/C34H33F3N2O4/c1-21-31-29(13-12-27-11-10-24(18-38-27)23-8-5-9-26(16-23)34(35,36)37)28-14-15-39(19-25(28)17-30(31)32(40)43-21)33(41)42-20-22-6-3-2-4-7-22/h2-13,16,18,21,25,28-31H,14-15,17,19-20H2,1H3/b13-12+/t21-,25-,28-,29+,30-,31+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50222035 ((1R,3aR,4aS,8aS,9S,9aS)-9-[(E)-2-[5-(2,3-difluorop...) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3COCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3F)[C@H]12 Show InChI InChI=1S/C25H25F2NO3/c1-14-23-20(18-9-10-30-13-16(18)11-21(23)25(29)31-14)8-7-17-6-5-15(12-28-17)19-3-2-4-22(26)24(19)27/h2-8,12,14,16,18,20-21,23H,9-11,13H2,1H3/b8-7+/t14-,16-,18-,20+,21-,23+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50222016 ((1R,3aR,4aS,8aS,9S,9aS)-9-[(E)-2-[5-(3-fluoropheny...) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3COCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12 Show InChI InChI=1S/C25H26FNO3/c1-15-24-22(21-9-10-29-14-18(21)12-23(24)25(28)30-15)8-7-20-6-5-17(13-27-20)16-3-2-4-19(26)11-16/h2-8,11,13,15,18,21-24H,9-10,12,14H2,1H3/b8-7+/t15-,18-,21-,22+,23-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50222025 ((1R,3aR,4aS,8aS,9S,9aS)-ethyl 9-[(e)-2-[[2,3'-bipy...) Show SMILES CCOC(=O)N1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2ccccn2)C1 Show InChI InChI=1S/C27H31N3O4/c1-3-33-27(32)30-13-11-21-19(16-30)14-23-25(17(2)34-26(23)31)22(21)10-9-20-8-7-18(15-29-20)24-6-4-5-12-28-24/h4-10,12,15,17,19,21-23,25H,3,11,13-14,16H2,1-2H3/b10-9+/t17-,19-,21-,22+,23-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33.5	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50222021 ((1R,3aR,4aS,8aS,9S,9aS)-6-(cyclopropylcarbonyl)-de...) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CN(CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12)C(=O)C1CC1 Show InChI InChI=1S/C30H31F3N2O3/c1-17-27-25(10-9-23-8-7-20(15-34-23)19-3-2-4-22(13-19)30(31,32)33)24-11-12-35(28(36)18-5-6-18)16-21(24)14-26(27)29(37)38-17/h2-4,7-10,13,15,17-18,21,24-27H,5-6,11-12,14,16H2,1H3/b10-9+/t17-,21-,24-,25+,26-,27+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37.5	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50222028 ((1R,3aR,4aS,8aS,9S,9aS)-9-[(E)-2-[5-(3-fluoropheny...) Show SMILES CCCS(=O)(=O)N1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)C1 Show InChI InChI=1S/C28H33FN2O4S/c1-3-13-36(33,34)31-12-11-24-21(17-31)15-26-27(18(2)35-28(26)32)25(24)10-9-23-8-7-20(16-30-23)19-5-4-6-22(29)14-19/h4-10,14,16,18,21,24-27H,3,11-13,15,17H2,1-2H3/b10-9+/t18-,21-,24-,25+,26-,27+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50222036 ((1R,3aR,4aS,8aS,9S,9aS)-decahydro-1-methyl-6-(2-me...) Show SMILES CC(C)C(=O)N1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(c2)C(F)(F)F)C1 Show InChI InChI=1S/C30H33F3N2O3/c1-17(2)28(36)35-12-11-24-21(16-35)14-26-27(18(3)38-29(26)37)25(24)10-9-23-8-7-20(15-34-23)19-5-4-6-22(13-19)30(31,32)33/h4-10,13,15,17-18,21,24-27H,11-12,14,16H2,1-3H3/b10-9+/t18-,21-,24-,25+,26-,27+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	113	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50222033 (CHEMBL244485 | ethyl (4aS,5S,5aS,6R,8aR,9aS)-5-[(E...) Show SMILES CCOC(=O)N1CCC[C@@H]2[C@@H]1C[C@@H]1[C@@H]([C@@H](C)OC1=O)[C@H]2\C=C\c1ccc(cn1)-c1ccccc1F Show InChI InChI=1S/C28H31FN2O4/c1-3-34-28(33)31-14-6-8-21-22(26-17(2)35-27(32)23(26)15-25(21)31)13-12-19-11-10-18(16-30-19)20-7-4-5-9-24(20)29/h4-5,7,9-13,16-17,21-23,25-26H,3,6,8,14-15H2,1-2H3/b13-12+/t17-,21+,22+,23-,25+,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	153	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50222027 ((1R,3aR,4aS,8aS,9S,9aS)-decahydro-1-methyl-9-[(1E)...) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CS(=O)(=O)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12 Show InChI InChI=1S/C26H26F3NO4S/c1-15-24-22(21-9-10-35(32,33)14-18(21)12-23(24)25(31)34-15)8-7-20-6-5-17(13-30-20)16-3-2-4-19(11-16)26(27,28)29/h2-8,11,13,15,18,21-24H,9-10,12,14H2,1H3/b8-7+/t15-,18-,21-,22+,23-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50222029 (CHEMBL244484 | ethyl (4aS,5S,5aS,6R,8aR,9aS)-5-[(E...) Show SMILES CCOC(=O)N1CCC[C@@H]2[C@@H]1C[C@@H]1[C@@H]([C@@H](C)OC1=O)[C@H]2\C=C\c1ccc(cn1)-c1cccc(F)c1 Show InChI InChI=1S/C28H31FN2O4/c1-3-34-28(33)31-13-5-8-22-23(26-17(2)35-27(32)24(26)15-25(22)31)12-11-21-10-9-19(16-30-21)18-6-4-7-20(29)14-18/h4,6-7,9-12,14,16-17,22-26H,3,5,8,13,15H2,1-2H3/b12-11+/t17-,22+,23+,24-,25+,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	224	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50222040 (CHEMBL437171 | ethyl (4aS,5S,5aS,6R,8aR,9aS)-5-[(E...) Show SMILES CCOC(=O)N1CCC[C@@H]2[C@@H]1C[C@@H]1[C@@H]([C@@H](C)OC1=O)[C@H]2\C=C\c1ccc(cn1)-c1cccc(c1)C#N Show InChI InChI=1S/C29H31N3O4/c1-3-35-29(34)32-13-5-8-23-24(27-18(2)36-28(33)25(27)15-26(23)32)12-11-22-10-9-21(17-31-22)20-7-4-6-19(14-20)16-30/h4,6-7,9-12,14,17-18,23-27H,3,5,8,13,15H2,1-2H3/b12-11+/t18-,23+,24+,25-,26+,27+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	295	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50222024 ((1R,3aR,4aS,-8aS,9S,9aS)-decahydro-1-methyl-9-[(1E...) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CS(=O)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12 Show InChI InChI=1S/C26H26F3NO3S/c1-15-24-22(21-9-10-34(32)14-18(21)12-23(24)25(31)33-15)8-7-20-6-5-17(13-30-20)16-3-2-4-19(11-16)26(27,28)29/h2-8,11,13,15,18,21-24H,9-10,12,14H2,1H3/b8-7+/t15-,18-,21-,22+,23-,24+,34?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	375	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50222024 ((1R,3aR,4aS,-8aS,9S,9aS)-decahydro-1-methyl-9-[(1E...) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CS(=O)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12 Show InChI InChI=1S/C26H26F3NO3S/c1-15-24-22(21-9-10-34(32)14-18(21)12-23(24)25(31)33-15)8-7-20-6-5-17(13-30-20)16-3-2-4-19(11-16)26(27,28)29/h2-8,11,13,15,18,21-24H,9-10,12,14H2,1H3/b8-7+/t15-,18-,21-,22+,23-,24+,34?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	375	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50222020 ((1R,3aR,4aS,8aS,9S,9aS)-6-acetyl-decahydro-1-methy...) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CN(CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12)C(C)=O Show InChI InChI=1S/C28H29F3N2O3/c1-16-26-24(23-10-11-33(17(2)34)15-20(23)13-25(26)27(35)36-16)9-8-22-7-6-19(14-32-22)18-4-3-5-21(12-18)28(29,30)31/h3-9,12,14,16,20,23-26H,10-11,13,15H2,1-2H3/b9-8+/t16-,20-,23-,24+,25-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50222023 (CHEMBL389382 | ethyl (4aS,5S,5aS,6R,8aR,9aS)-5-[(E...) Show SMILES CCOC(=O)N1CCC[C@@H]2[C@@H]1C[C@@H]1[C@@H]([C@@H](C)OC1=O)[C@H]2\C=C\c1ccc(cn1)-c1ccccc1C Show InChI InChI=1S/C29H34N2O4/c1-4-34-29(33)31-15-7-10-23-24(27-19(3)35-28(32)25(27)16-26(23)31)14-13-21-12-11-20(17-30-21)22-9-6-5-8-18(22)2/h5-6,8-9,11-14,17,19,23-27H,4,7,10,15-16H2,1-3H3/b14-13+/t19-,23+,24+,25-,26+,27+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50222038 ((1R,3aR,4aS,8aS,9S,9aS)-decahydro-1-methyl-9-[(e)-...) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CNCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12 Show InChI InChI=1S/C26H27F3N2O2/c1-15-24-22(21-9-10-30-13-18(21)12-23(24)25(32)33-15)8-7-20-6-5-17(14-31-20)16-3-2-4-19(11-16)26(27,28)29/h2-8,11,14-15,18,21-24,30H,9-10,12-13H2,1H3/b8-7+/t15-,18-,21-,22+,23-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50222014 ((1R,3aR,4aS,8aS,9S,9aS)-decahydro-6-methyl-1-methy...) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CN(C)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12 Show InChI InChI=1S/C27H29F3N2O2/c1-16-25-23(22-10-11-32(2)15-19(22)13-24(25)26(33)34-16)9-8-21-7-6-18(14-31-21)17-4-3-5-20(12-17)27(28,29)30/h3-9,12,14,16,19,22-25H,10-11,13,15H2,1-2H3/b9-8+/t16-,19-,22-,23+,24-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	762	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50222037 ((1R,3aR,4aS,8aS,9S,9aS)-dodecahydro-1-methyl-3-oxo...) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CN(CC[C@H]3[C@H](C=Cc3ccc(cn3)-c3cccc(F)c3)[C@H]12)C(N)=O |w:15.16| Show InChI InChI=1S/C26H28FN3O3/c1-15-24-22(8-7-20-6-5-17(13-29-20)16-3-2-4-19(27)11-16)21-9-10-30(26(28)32)14-18(21)12-23(24)25(31)33-15/h2-8,11,13,15,18,21-24H,9-10,12,14H2,1H3,(H2,28,32)/t15-,18-,21-,22+,23-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membrane				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
					More data for this Ligand-Target Pair