Found 22 hits of Enzyme Inhibition Constant Data 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)) | BDBM50173419
((3R,3aS,4S,4aR,8aS,9aR)-3-Methyl-4-{(E)-2-[5-(3-tr...)Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12 Show InChI InChI=1S/C27H28F3NO2/c1-16-25-23(22-8-3-2-5-18(22)14-24(25)26(32)33-16)12-11-21-10-9-19(15-31-21)17-6-4-7-20(13-17)27(28,29)30/h4,6-7,9-13,15-16,18,22-25H,2-3,5,8,14H2,1H3/b12-11+/t16-,18+,22-,23+,24-,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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to PAR1 in human platelet membrane |
Bioorg Med Chem Lett 16: 4969-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.042
BindingDB Entry DOI: 10.7270/Q2CV4HC9 |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50179569
((+/-)-(3R,3aS,4S,4aR,8aS,9aR)-4-(2-(6-methoxyquino...)Show SMILES COc1ccc2nc(\C=C\[C@@H]3[C@@H]4[C@@H](C)OC(=O)[C@@H]4C[C@@H]4CCCC[C@@H]34)ccc2c1 Show InChI InChI=1S/C25H29NO3/c1-15-24-21(20-6-4-3-5-16(20)14-22(24)25(27)29-15)11-9-18-8-7-17-13-19(28-2)10-12-23(17)26-18/h7-13,15-16,20-22,24H,3-6,14H2,1-2H3/b11-9+/t15-,16+,20-,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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to PAR1 in human platelet membrane |
Bioorg Med Chem Lett 16: 4969-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.042
BindingDB Entry DOI: 10.7270/Q2CV4HC9 |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50191049
((R)-1-((1S,2S,3R,4aS,8aR)-3-(hydroxymethyl)-1-(2-(...)Show SMILES C[C@@H](O)[C@@H]1[C@H](CO)C[C@@H]2CCCC[C@H]2[C@@H]1\C=C\c1ccc(cn1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C27H32F3NO2/c1-17(33)26-21(16-32)13-19-5-2-3-8-24(19)25(26)12-11-23-10-9-20(15-31-23)18-6-4-7-22(14-18)27(28,29)30/h4,6-7,9-12,14-15,17,19,21,24-26,32-33H,2-3,5,8,13,16H2,1H3/b12-11+/t17-,19+,21+,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 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to PAR1 in human platelet membrane |
Bioorg Med Chem Lett 16: 4969-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.042
BindingDB Entry DOI: 10.7270/Q2CV4HC9 |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50179574
((+/-)-(3R,3aS,4S,4aR,8aS,9aR)-3-methyl-4-(2-(quino...)Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc4ccccc4n3)[C@H]12 Show InChI InChI=1S/C24H27NO2/c1-15-23-20(13-12-18-11-10-16-6-3-5-9-22(16)25-18)19-8-4-2-7-17(19)14-21(23)24(26)27-15/h3,5-6,9-13,15,17,19-21,23H,2,4,7-8,14H2,1H3/b13-12+/t15-,17+,19-,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 | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to PAR1 in human platelet membrane |
Bioorg Med Chem Lett 16: 4969-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.042
BindingDB Entry DOI: 10.7270/Q2CV4HC9 |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50191046
((1R,3R,3aS,4S,4aR,8aS,9aR)-4-(2-(6-methoxyquinolin...)Show SMILES COc1ccc2nc(\C=C\[C@@H]3[C@@H]4[C@@H](C)O[C@@H](O)[C@@H]4C[C@@H]4CCCC[C@@H]34)ccc2c1 Show InChI InChI=1S/C25H31NO3/c1-15-24-21(20-6-4-3-5-16(20)14-22(24)25(27)29-15)11-9-18-8-7-17-13-19(28-2)10-12-23(17)26-18/h7-13,15-16,20-22,24-25,27H,3-6,14H2,1-2H3/b11-9+/t15-,16+,20-,21+,22-,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 | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to PAR1 in human platelet membrane |
Bioorg Med Chem Lett 16: 4969-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.042
BindingDB Entry DOI: 10.7270/Q2CV4HC9 |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50191048
((R)-1-((1S,2S,3R,4aS,8aR)-3-(hydroxymethyl)-1-(2-(...)Show SMILES COc1ccc2nc(\C=C\[C@H]3[C@@H]4CCCC[C@H]4C[C@@H](CO)[C@H]3[C@@H](C)O)ccc2c1 Show InChI InChI=1S/C25H33NO3/c1-16(28)25-19(15-27)13-17-5-3-4-6-22(17)23(25)11-9-20-8-7-18-14-21(29-2)10-12-24(18)26-20/h7-12,14,16-17,19,22-23,25,27-28H,3-6,13,15H2,1-2H3/b11-9+/t16-,17+,19+,22-,23+,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 | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to PAR1 in human platelet membrane |
Bioorg Med Chem Lett 16: 4969-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.042
BindingDB Entry DOI: 10.7270/Q2CV4HC9 |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50173417
((3R,3aS,4S,4aR,8aS,9aR)-4-(2-(6-ethylpyridin-2-yl)...)Show SMILES CCc1cccc(\C=C\[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@@H]23)n1 Show InChI InChI=1S/C22H29NO2/c1-3-16-8-6-9-17(23-16)11-12-19-18-10-5-4-7-15(18)13-20-21(19)14(2)25-22(20)24/h6,8-9,11-12,14-15,18-21H,3-5,7,10,13H2,1-2H3/b12-11+/t14-,15+,18-,19+,20-,21+/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 | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to PAR1 in human platelet membrane |
Bioorg Med Chem Lett 16: 4969-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.042
BindingDB Entry DOI: 10.7270/Q2CV4HC9 |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50191042
((3R,3aS,4S,4aS,9aR)-3-methyl-4-(2-(quinolin-2-yl)v...)Show SMILES C[C@H]1OC(=O)[C@@H]2C=C3CCCC[C@H]3[C@H](\C=C\c3ccc4ccccc4n3)[C@H]12 |t:6| Show InChI InChI=1S/C24H25NO2/c1-15-23-20(13-12-18-11-10-16-6-3-5-9-22(16)25-18)19-8-4-2-7-17(19)14-21(23)24(26)27-15/h3,5-6,9-15,19-21,23H,2,4,7-8H2,1H3/b13-12+/t15-,19-,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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to PAR1 in human platelet membrane |
Bioorg Med Chem Lett 16: 4969-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.042
BindingDB Entry DOI: 10.7270/Q2CV4HC9 |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50191041
((3aS,4S,4aS,9aR)-3,3-dimethyl-4-(2-(quinolin-2-yl)...)Show SMILES CC1(C)OC(=O)[C@@H]2C=C3CCCC[C@H]3[C@H](\C=C\c3ccc4ccccc4n3)[C@H]12 |t:7| Show InChI InChI=1S/C25H27NO2/c1-25(2)23-20(14-13-18-12-11-16-7-4-6-10-22(16)26-18)19-9-5-3-8-17(19)15-21(23)24(27)28-25/h4,6-7,10-15,19-21,23H,3,5,8-9H2,1-2H3/b14-13+/t19-,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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to PAR1 in human platelet membrane |
Bioorg Med Chem Lett 16: 4969-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.042
BindingDB Entry DOI: 10.7270/Q2CV4HC9 |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50191037
((3aS,4S,4aS,9aR)-4-(2-(quinolin-2-yl)vinyl)-3,3a,4...)Show SMILES O=C1OC[C@@H]2[C@H]1C=C1CCCC[C@H]1[C@@H]2\C=C\c1ccc2ccccc2n1 |t:7| Show InChI InChI=1S/C23H23NO2/c25-23-20-13-16-6-1-3-7-18(16)19(21(20)14-26-23)12-11-17-10-9-15-5-2-4-8-22(15)24-17/h2,4-5,8-13,18-21H,1,3,6-7,14H2/b12-11+/t18-,19+,20-,21+/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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to PAR1 in human platelet membrane |
Bioorg Med Chem Lett 16: 4969-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.042
BindingDB Entry DOI: 10.7270/Q2CV4HC9 |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50191050
(6-methoxy-2-(2-((1R,3R,3aS,4S,4aR,8aS,9aR)-1-metho...)Show SMILES CO[C@@H]1O[C@H](C)[C@@H]2[C@H]1C[C@@H]1CCCC[C@H]1[C@@H]2\C=C\c1ccc2cc(OC)ccc2n1 Show InChI InChI=1S/C26H33NO3/c1-16-25-22(21-7-5-4-6-17(21)15-23(25)26(29-3)30-16)12-10-19-9-8-18-14-20(28-2)11-13-24(18)27-19/h8-14,16-17,21-23,25-26H,4-7,15H2,1-3H3/b12-10+/t16-,17+,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 | 217 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to PAR1 in human platelet membrane |
Bioorg Med Chem Lett 16: 4969-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.042
BindingDB Entry DOI: 10.7270/Q2CV4HC9 |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50173425
((3R,3aS,4S,4aR,8aS,9aR)-3-Methyl-4-[(E)-2-(6-methy...)Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3cccc(C)n3)[C@H]12 Show InChI InChI=1S/C21H27NO2/c1-13-6-5-8-16(22-13)10-11-18-17-9-4-3-7-15(17)12-19-20(18)14(2)24-21(19)23/h5-6,8,10-11,14-15,17-20H,3-4,7,9,12H2,1-2H3/b11-10+/t14-,15+,17-,18+,19-,20+/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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to PAR1 in human platelet membrane |
Bioorg Med Chem Lett 16: 4969-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.042
BindingDB Entry DOI: 10.7270/Q2CV4HC9 |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50191036
(2-(2-((3R,3aS,4S,4aR,8aS,9aR)-3-methyl-dodecahydro...)Show SMILES C[C@H]1OC[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12 Show InChI InChI=1S/C27H30F3NO/c1-17-26-21(16-32-17)13-19-5-2-3-8-24(19)25(26)12-11-23-10-9-20(15-31-23)18-6-4-7-22(14-18)27(28,29)30/h4,6-7,9-12,14-15,17,19,21,24-26H,2-3,5,8,13,16H2,1H3/b12-11+/t17-,19+,21+,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 | 426 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to PAR1 in human platelet membrane |
Bioorg Med Chem Lett 16: 4969-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.042
BindingDB Entry DOI: 10.7270/Q2CV4HC9 |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50191039
(6-methoxy-2-(2-((3R,3aS,4S,4aR,8aS,9aR)-3-methyl-d...)Show SMILES COc1ccc2nc(\C=C\[C@@H]3[C@H]4[C@H](CO[C@@H]4C)C[C@@H]4CCCC[C@@H]34)ccc2c1 Show InChI InChI=1S/C25H31NO2/c1-16-25-19(15-28-16)13-17-5-3-4-6-22(17)23(25)11-9-20-8-7-18-14-21(27-2)10-12-24(18)26-20/h7-12,14,16-17,19,22-23,25H,3-6,13,15H2,1-2H3/b11-9+/t16-,17+,19+,22-,23+,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 | 623 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to PAR1 in human platelet membrane |
Bioorg Med Chem Lett 16: 4969-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.042
BindingDB Entry DOI: 10.7270/Q2CV4HC9 |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50191044
((3R,3aS,4S,4aS,9aR)-3-ethyl-4-(2-(quinolin-2-yl)vi...)Show SMILES CC[C@H]1OC(=O)[C@@H]2C=C3CCCC[C@H]3[C@H](\C=C\c3ccc4ccccc4n3)[C@H]12 |t:7| Show InChI InChI=1S/C25H27NO2/c1-2-23-24-20(14-13-18-12-11-16-7-4-6-10-22(16)26-18)19-9-5-3-8-17(19)15-21(24)25(27)28-23/h4,6-7,10-15,19-21,23-24H,2-3,5,8-9H2,1H3/b14-13+/t19-,20+,21-,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 | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to PAR1 in human platelet membrane |
Bioorg Med Chem Lett 16: 4969-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.042
BindingDB Entry DOI: 10.7270/Q2CV4HC9 |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50191051
((1R,3R,3aS,4S,4aR,8aS,9aR)-3-methyl-4-(2-(quinolin...)Show SMILES C[C@H]1O[C@@H](O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc4ccccc4n3)[C@H]12 Show InChI InChI=1S/C24H29NO2/c1-15-23-20(13-12-18-11-10-16-6-3-5-9-22(16)25-18)19-8-4-2-7-17(19)14-21(23)24(26)27-15/h3,5-6,9-13,15,17,19-21,23-24,26H,2,4,7-8,14H2,1H3/b13-12+/t15-,17+,19-,20+,21-,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 | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to PAR1 in human platelet membrane |
Bioorg Med Chem Lett 16: 4969-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.042
BindingDB Entry DOI: 10.7270/Q2CV4HC9 |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50191038
((1R,3R,3aS,4S,4aR,8aS,9aR)-4-(2-(6-ethylpyridin-2-...)Show SMILES CCc1cccc(\C=C\[C@@H]2[C@@H]3[C@@H](C)O[C@@H](O)[C@@H]3C[C@@H]3CCCC[C@@H]23)n1 Show InChI InChI=1S/C22H31NO2/c1-3-16-8-6-9-17(23-16)11-12-19-18-10-5-4-7-15(18)13-20-21(19)14(2)25-22(20)24/h6,8-9,11-12,14-15,18-22,24H,3-5,7,10,13H2,1-2H3/b12-11+/t14-,15+,18-,19+,20-,21+,22-/m1/s1 | PDB
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UniChem
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| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to PAR1 in human platelet membrane |
Bioorg Med Chem Lett 16: 4969-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.042
BindingDB Entry DOI: 10.7270/Q2CV4HC9 |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50191035
((R)-1-((1S,2S,3R,4aS,8aR)-1-(2-(6-ethylpyridin-2-y...)Show SMILES CCc1cccc(\C=C\[C@H]2[C@@H]3CCCC[C@H]3C[C@@H](CO)[C@H]2[C@@H](C)O)n1 Show InChI InChI=1S/C22H33NO2/c1-3-18-8-6-9-19(23-18)11-12-21-20-10-5-4-7-16(20)13-17(14-24)22(21)15(2)25/h6,8-9,11-12,15-17,20-22,24-25H,3-5,7,10,13-14H2,1-2H3/b12-11+/t15-,16+,17+,20-,21+,22-/m1/s1 | PDB
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| n/a | n/a | 3.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to PAR1 in human platelet membrane |
Bioorg Med Chem Lett 16: 4969-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.042
BindingDB Entry DOI: 10.7270/Q2CV4HC9 |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50191043
((1R,3R,3aS,4R,5aS,9aR,9bS)-3-methyl-1-(quinolin-2-...)Show SMILES C[C@H]1O[C@H](Cc2ccc3ccccc3n2)C2[C@H]1[C@@H](C[C@@H]1CCCC[C@@H]21)C(O)=O Show InChI InChI=1S/C24H29NO3/c1-14-22-19(24(26)27)12-16-7-2-4-8-18(16)23(22)21(28-14)13-17-11-10-15-6-3-5-9-20(15)25-17/h3,5-6,9-11,14,16,18-19,21-23H,2,4,7-8,12-13H2,1H3,(H,26,27)/t14-,16+,18-,19-,21-,22-,23?/m1/s1 | PDB
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UniChem
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PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to PAR1 in human platelet membrane |
Bioorg Med Chem Lett 16: 4969-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.042
BindingDB Entry DOI: 10.7270/Q2CV4HC9 |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50191040
(2-(2-((1S,4aS,8aR)-decahydronaphthalen-1-yl)vinyl)...)Show SMILES COc1ccc2nc(\C=C\[C@@H]3CCC[C@@H]4CCCC[C@@H]34)ccc2c1 Show InChI InChI=1S/C22H27NO/c1-24-20-13-14-22-18(15-20)10-12-19(23-22)11-9-17-7-4-6-16-5-2-3-8-21(16)17/h9-17,21H,2-8H2,1H3/b11-9+/t16-,17-,21+/m0/s1 | PDB
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PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to PAR1 in human platelet membrane |
Bioorg Med Chem Lett 16: 4969-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.042
BindingDB Entry DOI: 10.7270/Q2CV4HC9 |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50191047
(2-(2-((1R,3R,3aS,4S,4aR,8aS,9aR)-1-methoxy-3-methy...)Show SMILES CO[C@@H]1O[C@H](C)[C@@H]2[C@H]1C[C@@H]1CCCC[C@H]1[C@@H]2\C=C\c1ccc2ccccc2n1 Show InChI InChI=1S/C25H31NO2/c1-16-24-21(14-13-19-12-11-17-7-4-6-10-23(17)26-19)20-9-5-3-8-18(20)15-22(24)25(27-2)28-16/h4,6-7,10-14,16,18,20-22,24-25H,3,5,8-9,15H2,1-2H3/b14-13+/t16-,18+,20-,21+,22-,24+,25-/m1/s1 | PDB
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PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to PAR1 in human platelet membrane |
Bioorg Med Chem Lett 16: 4969-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.042
BindingDB Entry DOI: 10.7270/Q2CV4HC9 |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50191045
(2-(2-((3R,3aS,4S,4aR,8aS,9aR)-3-methyl-dodecahydro...)Show SMILES C[C@H]1OC[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc4ccccc4n3)[C@H]12 Show InChI InChI=1S/C24H29NO/c1-16-24-19(15-26-16)14-18-7-2-4-8-21(18)22(24)13-12-20-11-10-17-6-3-5-9-23(17)25-20/h3,5-6,9-13,16,18-19,21-22,24H,2,4,7-8,14-15H2,1H3/b13-12+/t16-,18+,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 | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to PAR1 in human platelet membrane |
Bioorg Med Chem Lett 16: 4969-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.042
BindingDB Entry DOI: 10.7270/Q2CV4HC9 |
More data for this
Ligand-Target Pair | |
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