BDBM50261110 CHEMBL493982::Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]dodecahydro-1(R)-methyl-3-oxonaphtho[2,3-c]furan-6(R)-yl]carbamate::VORAPAXAR
SMILES: CCOC(=O)N[C@@H]1CC[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
InChI Key: InChIKey=ZBGXUVOIWDMMJE-VGNWVOHFSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | BDBM50261110 (CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.10 | 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 Antagonist activity at human PAR1 in HCASMC assessed as inhibition of thrombin-induced calcium efflux | J Med Chem 51: 3061-4 (2008) Article DOI: 10.1021/jm800180e BindingDB Entry DOI: 10.7270/Q28W3D3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proteinase-activated receptor 1 (Homo sapiens (Human)) | BDBM50261110 (CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 8 | 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 high affinity TRAP form human platelet PAR1 | Bioorg Med Chem Lett 20: 6676-9 (2010) Article DOI: 10.1016/j.bmcl.2010.09.009 BindingDB Entry DOI: 10.7270/Q2KS6RSH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proteinase-activated receptor 1 (Homo sapiens (Human)) | BDBM50261110 (CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 8.10 | 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 platelets | J Med Chem 51: 3061-4 (2008) Article DOI: 10.1021/jm800180e BindingDB Entry DOI: 10.7270/Q28W3D3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proteinase-activated receptor 1 (Homo sapiens (Human)) | BDBM50261110 (CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis | ACS Med Chem Lett 5: 183-7 (2014) Article DOI: 10.1021/ml400452v BindingDB Entry DOI: 10.7270/Q2V40WPG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proteinase-activated receptor 1 (Homo sapiens (Human)) | BDBM50261110 (CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 13 | 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 Antagonist activity at human PAR1 in HCASMC assessed as inhibition of thrombin-induced thymidine incorporation | J Med Chem 51: 3061-4 (2008) Article DOI: 10.1021/jm800180e BindingDB Entry DOI: 10.7270/Q28W3D3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proteinase-activated receptor 1 (Homo sapiens (Human)) | BDBM50261110 (CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
School of Pharmaceutical Sciences, Shandong University , Jinan 250012, China. Curated by ChEMBL | Assay Description Antagonist activity at PAR1 in human platelet-rich plasma assessed as reduction in TRAP-stimulated platelet aggregation preincubated for 20 mins foll... | J Med Chem 60: 7166-7185 (2017) Article DOI: 10.1021/acs.jmedchem.7b00951 BindingDB Entry DOI: 10.7270/Q2BR8VN6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proteinase-activated receptor 1 (Homo sapiens (Human)) | BDBM50261110 (CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
School of Pharmaceutical Sciences, Shandong University , Jinan 250012, China. Curated by ChEMBL | Assay Description Antagonist activity at PAR1 in human platelet-rich plasma assessed as reduction in thrombin-stimulated platelet aggregation preincubated for 3 mins f... | J Med Chem 60: 7166-7185 (2017) Article DOI: 10.1021/acs.jmedchem.7b00951 BindingDB Entry DOI: 10.7270/Q2BR8VN6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proteinase-activated receptor 1 (Homo sapiens (Human)) | BDBM50261110 (CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
School of Pharmaceutical Sciences, Shandong University , Jinan 250012, China. Curated by ChEMBL | Assay Description Antagonist activity at human PAR1 expressed in HEK293 cells co-expressing Galpha15 assessed as inhibition of haTRAP-induced calcium mobilization prei... | J Med Chem 60: 7166-7185 (2017) Article DOI: 10.1021/acs.jmedchem.7b00951 BindingDB Entry DOI: 10.7270/Q2BR8VN6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proteinase-activated receptor 1 (Homo sapiens (Human)) | BDBM50261110 (CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Technology Curated by ChEMBL | Assay Description Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis | ACS Med Chem Lett 4: 1054-8 (2013) Article DOI: 10.1021/ml400235c BindingDB Entry DOI: 10.7270/Q2KH0PSN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proteinase-activated receptor 1 (Homo sapiens (Human)) | BDBM50261110 (CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Technology Curated by ChEMBL | Assay Description Antagonist activity at PAR1 in washed human platelets assessed as inhibition of haTRAP-induced platelet aggregation preincubated for 1 hr followed by... | ACS Med Chem Lett 4: 1054-8 (2013) Article DOI: 10.1021/ml400235c BindingDB Entry DOI: 10.7270/Q2KH0PSN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proteinase-activated receptor 1 (Homo sapiens (Human)) | BDBM50261110 (CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei University of Technology Curated by ChEMBL | Assay Description Antagonist activity at human PAR1 expressed in KNRK cells assessed as inhibition of agonist-induced intracellular calcium mobilization by fluorimetri... | Bioorg Med Chem Lett 30: (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proteinase-activated receptor 1 (Homo sapiens (Human)) | BDBM50261110 (CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute Curated by ChEMBL | Assay Description Antagonist activity at PAR1 in human platelets assessed as inhibition of thrombin-induced platelet aggregation | J Med Chem 51: 3061-4 (2008) Article DOI: 10.1021/jm800180e BindingDB Entry DOI: 10.7270/Q28W3D3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proteinase-activated receptor 1 (Homo sapiens (Human)) | BDBM50261110 (CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents 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 Antagonist activity at PAR1 in human platelets assessed as inhibition of haTRAP-induced platelet aggregation | J Med Chem 51: 3061-4 (2008) Article DOI: 10.1021/jm800180e BindingDB Entry DOI: 10.7270/Q28W3D3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proteinase-activated receptor 1 (Homo sapiens (Human)) | BDBM50261110 (CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Technology Curated by ChEMBL | Assay Description Antagonist activity at PAR1 in human platelet rich plasma assessed as inhibition of haTRAP-induced platelet aggregation preincubated for 1 hr followe... | ACS Med Chem Lett 4: 1054-8 (2013) Article DOI: 10.1021/ml400235c BindingDB Entry DOI: 10.7270/Q2KH0PSN | |||||||||||
More data for this Ligand-Target Pair |