BindingDB logo
myBDB logout

PubMed code 17490877

Compile data set for download or QSAR
Found 30 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50212443
PNG
((3aR,4R,9aS,E)-7,8-difluoro-4-(2-(5-(3-fluoropheny...)
Show SMILES Fc1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3COC(=O)[C@H]3Cc3c(F)c(F)ccc23)nc1
Show InChI InChI=1S/C25H18F3NO2/c26-16-3-1-2-14(10-16)15-4-5-17(29-12-15)6-7-19-18-8-9-23(27)24(28)20(18)11-21-22(19)13-31-25(21)30/h1-10,12,19,21-22H,11,13H2/b7-6+/t19-,21-,22+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50212440
PNG
((3aR,4R,9aS,E)-4-(2-(5-(3-fluorophenyl)pyridin-2-y...)
Show SMILES Fc1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3COC(=O)[C@H]3Cc3ccccc23)nc1
Show InChI InChI=1S/C25H20FNO2/c26-19-6-3-5-16(12-19)18-8-9-20(27-14-18)10-11-22-21-7-2-1-4-17(21)13-23-24(22)15-29-25(23)28/h1-12,14,22-24H,13,15H2/b11-10+/t22-,23-,24+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50212436
PNG
((3aR,4R,9aS,E)-7-fluoro-4-(2-(5-(3-fluorophenyl)py...)
Show SMILES Fc1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3COC(=O)[C@H]3Cc3cc(F)ccc23)nc1
Show InChI InChI=1S/C25H19F2NO2/c26-18-3-1-2-15(10-18)16-4-6-20(28-13-16)7-9-22-21-8-5-19(27)11-17(21)12-23-24(22)14-30-25(23)29/h1-11,13,22-24H,12,14H2/b9-7+/t22-,23-,24+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.60n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50212429
PNG
((3aR,4R,9aS,E)-4-(2-(5-(3-(trifluoromethyl)phenyl)...)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3COC(=O)[C@H]3Cc3ccccc23)nc1
Show InChI InChI=1S/C26H20F3NO2/c27-26(28,29)19-6-3-5-16(12-19)18-8-9-20(30-14-18)10-11-22-21-7-2-1-4-17(21)13-23-24(22)15-32-25(23)31/h1-12,14,22-24H,13,15H2/b11-10+/t22-,23-,24+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50212453
PNG
((3aR,4R,9aS,E)-4-(2-(5-(3-chlorophenyl)pyridin-2-y...)
Show SMILES Fc1ccc2C[C@H]3[C@H](COC3=O)[C@@H](\C=C\c3ccc(cn3)-c3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C25H19ClFNO2/c26-18-3-1-2-15(10-18)17-5-7-20(28-13-17)8-9-21-22-12-19(27)6-4-16(22)11-23-24(21)14-30-25(23)29/h1-10,12-13,21,23-24H,11,14H2/b9-8+/t21-,23-,24+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50212430
PNG
((3aR,4R,9aS,E)-6-fluoro-4-(2-(5-(3-fluorophenyl)py...)
Show SMILES Fc1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3COC(=O)[C@H]3Cc3ccc(F)cc23)nc1
Show InChI InChI=1S/C25H19F2NO2/c26-18-3-1-2-15(10-18)17-5-7-20(28-13-17)8-9-21-22-12-19(27)6-4-16(22)11-23-24(21)14-30-25(23)29/h1-10,12-13,21,23-24H,11,14H2/b9-8+/t21-,23-,24+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50212445
PNG
((3aS,4S,9aR,E)-4-(2-(6-methoxyquinolin-2-yl)vinyl)...)
Show SMILES COc1ccc2nc(\C=C\[C@H]3[C@@H]4COC(=O)[C@@H]4Cc4ccccc34)ccc2c1
Show InChI InChI=1S/C24H21NO3/c1-27-18-9-11-23-16(12-18)6-7-17(25-23)8-10-20-19-5-3-2-4-15(19)13-21-22(20)14-28-24(21)26/h2-12,20-22H,13-14H2,1H3/b10-8+/t20-,21-,22+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50212438
PNG
((3aR,4R,9aS,E)-4-(2-(5-(3-chlorophenyl)pyridin-2-y...)
Show SMILES Fc1ccc2[C@H](\C=C\c3ccc(cn3)-c3cccc(Cl)c3)[C@H]3COC(=O)[C@H]3Cc2c1
Show InChI InChI=1S/C25H19ClFNO2/c26-18-3-1-2-15(10-18)16-4-6-20(28-13-16)7-9-22-21-8-5-19(27)11-17(21)12-23-24(22)14-30-25(23)29/h1-11,13,22-24H,12,14H2/b9-7+/t22-,23-,24+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50212441
PNG
((3aR,4R,9aS,E)-6-chloro-4-(2-(5-(3-fluorophenyl)py...)
Show SMILES Fc1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3COC(=O)[C@H]3Cc3ccc(Cl)cc23)nc1
Show InChI InChI=1S/C25H19ClFNO2/c26-18-6-4-16-11-23-24(14-30-25(23)29)21(22(16)12-18)9-8-20-7-5-17(13-28-20)15-2-1-3-19(27)10-15/h1-10,12-13,21,23-24H,11,14H2/b9-8+/t21-,23-,24+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50212437
PNG
((3aR,4R,9aS,E)-4-(2-(5-(3-chlorophenyl)pyridin-2-y...)
Show SMILES Clc1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3COC(=O)[C@H]3Cc3ccccc23)nc1
Show InChI InChI=1S/C25H20ClNO2/c26-19-6-3-5-16(12-19)18-8-9-20(27-14-18)10-11-22-21-7-2-1-4-17(21)13-23-24(22)15-29-25(23)28/h1-12,14,22-24H,13,15H2/b11-10+/t22-,23-,24+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50212439
PNG
((3aR,4R,9aS,E)-4-(2-(5-(3-chlorophenyl)pyridin-2-y...)
Show SMILES Fc1ccc2[C@H](\C=C\c3ccc(cn3)-c3cccc(Cl)c3)[C@H]3COC(=O)[C@H]3Cc2c1F
Show InChI InChI=1S/C25H18ClF2NO2/c26-16-3-1-2-14(10-16)15-4-5-17(29-12-15)6-7-19-18-8-9-23(27)24(28)20(18)11-21-22(19)13-31-25(21)30/h1-10,12,19,21-22H,11,13H2/b7-6+/t19-,21-,22+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50212435
PNG
((3aR,4R,9aS,E)-8-fluoro-4-(2-(5-(3-fluorophenyl)py...)
Show SMILES Fc1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3COC(=O)[C@H]3Cc3c(F)cccc23)nc1
Show InChI InChI=1S/C25H19F2NO2/c26-17-4-1-3-15(11-17)16-7-8-18(28-13-16)9-10-20-19-5-2-6-24(27)21(19)12-22-23(20)14-30-25(22)29/h1-11,13,20,22-23H,12,14H2/b10-9+/t20-,22-,23+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50212431
PNG
((3aR,4R,9aS,E)-6,8-difluoro-4-(2-(5-(3-(trifluorom...)
Show SMILES Fc1cc(F)c2C[C@H]3[C@H](COC3=O)[C@@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)c2c1
Show InChI InChI=1S/C26H18F5NO2/c27-17-9-20-19(23-13-34-25(33)22(23)11-21(20)24(28)10-17)7-6-18-5-4-15(12-32-18)14-2-1-3-16(8-14)26(29,30)31/h1-10,12,19,22-23H,11,13H2/b7-6+/t19-,22-,23+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 21.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50212448
PNG
((3aR,4R,9aS,E)-4-(2-(5-(3-chlorophenyl)pyridin-2-y...)
Show SMILES Fc1cccc2[C@H](\C=C\c3ccc(cn3)-c3cccc(Cl)c3)[C@H]3COC(=O)[C@H]3Cc12
Show InChI InChI=1S/C25H19ClFNO2/c26-17-4-1-3-15(11-17)16-7-8-18(28-13-16)9-10-20-19-5-2-6-24(27)21(19)12-22-23(20)14-30-25(22)29/h1-11,13,20,22-23H,12,14H2/b10-9+/t20-,22-,23+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50212444
PNG
((3aR,4R,9aS,E)-6-fluoro-4-(2-(5-(3-(trifluoromethy...)
Show SMILES Fc1ccc2C[C@H]3[C@H](COC3=O)[C@@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)c2c1
Show InChI InChI=1S/C26H19F4NO2/c27-19-6-4-16-11-23-24(14-33-25(23)32)21(22(16)12-19)9-8-20-7-5-17(13-31-20)15-2-1-3-18(10-15)26(28,29)30/h1-10,12-13,21,23-24H,11,14H2/b9-8+/t21-,23-,24+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 31.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50212454
PNG
((3aR,4R,9aS,E)-4-(2-(5-(3-chlorophenyl)pyridin-2-y...)
Show SMILES Fc1cc(F)c2C[C@H]3[C@H](COC3=O)[C@@H](\C=C\c3ccc(cn3)-c3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C25H18ClF2NO2/c26-16-3-1-2-14(8-16)15-4-5-18(29-12-15)6-7-19-20-9-17(27)10-24(28)21(20)11-22-23(19)13-31-25(22)30/h1-10,12,19,22-23H,11,13H2/b7-6+/t19-,22-,23+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 46.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50212455
PNG
((3aR,4R,9aS,E)-8-chloro-4-(2-(5-(3-fluorophenyl)py...)
Show SMILES Fc1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3COC(=O)[C@H]3Cc3c(Cl)cccc23)nc1
Show InChI InChI=1S/C25H19ClFNO2/c26-24-6-2-5-19-20(23-14-30-25(29)22(23)12-21(19)24)10-9-18-8-7-16(13-28-18)15-3-1-4-17(27)11-15/h1-11,13,20,22-23H,12,14H2/b10-9+/t20-,22-,23+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 63.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50212456
PNG
((3aR,4R,9aS,E)-8-fluoro-4-(2-(5-(3-(trifluoromethy...)
Show SMILES Fc1cccc2[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]3COC(=O)[C@H]3Cc12
Show InChI InChI=1S/C26H19F4NO2/c27-24-6-2-5-19-20(23-14-33-25(32)22(23)12-21(19)24)10-9-18-8-7-16(13-31-18)15-3-1-4-17(11-15)26(28,29)30/h1-11,13,20,22-23H,12,14H2/b10-9+/t20-,22-,23+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 65n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50212446
PNG
((3aR,4R,9aS,E)-5-fluoro-4-(2-(5-(3-fluorophenyl)py...)
Show SMILES Fc1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3COC(=O)[C@H]3Cc3cccc(F)c23)nc1
Show InChI InChI=1S/C25H19F2NO2/c26-18-5-1-3-15(11-18)17-7-8-19(28-13-17)9-10-20-22-14-30-25(29)21(22)12-16-4-2-6-23(27)24(16)20/h1-11,13,20-22H,12,14H2/b10-9+/t20-,21+,22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 85.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50212432
PNG
((3R,3aR,4R,9aS,E)-4-(2-(6-methoxyquinolin-2-yl)vin...)
Show SMILES COc1ccc2nc(\C=C\[C@@H]3[C@H]4[C@@H](C)OC(=O)[C@H]4Cc4ccccc34)ccc2c1
Show InChI InChI=1S/C25H23NO3/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/h3-13,15,21-22,24H,14H2,1-2H3/b11-9+/t15-,21+,22+,24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50212451
PNG
((3aR,4R,9aS,E)-6-chloro-4-(2-(5-(3-chlorophenyl)py...)
Show SMILES Clc1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3COC(=O)[C@H]3Cc3ccc(Cl)cc23)nc1
Show InChI InChI=1S/C25H19Cl2NO2/c26-18-3-1-2-15(10-18)17-5-7-20(28-13-17)8-9-21-22-12-19(27)6-4-16(22)11-23-24(21)14-30-25(23)29/h1-10,12-13,21,23-24H,11,14H2/b9-8+/t21-,23-,24+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50212428
PNG
((3aR,4R,9aS,E)-6-chloro-4-(2-(5-(3-(trifluoromethy...)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3COC(=O)[C@H]3Cc3ccc(Cl)cc23)nc1
Show InChI InChI=1S/C26H19ClF3NO2/c27-19-6-4-16-11-23-24(14-33-25(23)32)21(22(16)12-19)9-8-20-7-5-17(13-31-20)15-2-1-3-18(10-15)26(28,29)30/h1-10,12-13,21,23-24H,11,14H2/b9-8+/t21-,23-,24+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 138n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50212450
PNG
((3aS,4S,9aR,E)-4-(2-(6-methoxyquinolin-2-yl)vinyl)...)
Show SMILES COc1ccc2nc(\C=C\[C@H]3[C@H]4[C@@H](Cc5ccccc35)C(=O)OC4(C)C)ccc2c1
Show InChI InChI=1S/C26H25NO3/c1-26(2)24-21(20-7-5-4-6-16(20)15-22(24)25(28)30-26)12-10-18-9-8-17-14-19(29-3)11-13-23(17)27-18/h4-14,21-22,24H,15H2,1-3H3/b12-10+/t21-,22-,24+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 225n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50212447
PNG
((3aR,4R,9aS,E)-8-chloro-4-(2-(5-(3-(trifluoromethy...)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3COC(=O)[C@H]3Cc3c(Cl)cccc23)nc1
Show InChI InChI=1S/C26H19ClF3NO2/c27-24-6-2-5-19-20(23-14-33-25(32)22(23)12-21(19)24)10-9-18-8-7-16(13-31-18)15-3-1-4-17(11-15)26(28,29)30/h1-11,13,20,22-23H,12,14H2/b10-9+/t20-,22-,23+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 225n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50212457
PNG
((3aR,4R,9aS,E)-8-chloro-4-(2-(5-(3-chlorophenyl)py...)
Show SMILES Clc1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3COC(=O)[C@H]3Cc3c(Cl)cccc23)nc1
Show InChI InChI=1S/C25H19Cl2NO2/c26-17-4-1-3-15(11-17)16-7-8-18(28-13-16)9-10-20-19-5-2-6-24(27)21(19)12-22-23(20)14-30-25(22)29/h1-11,13,20,22-23H,12,14H2/b10-9+/t20-,22-,23+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 328n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50212452
PNG
((3aR,4R,9aS,E)-4-(2-(5-(3-chlorophenyl)pyridin-2-y...)
Show SMILES Fc1cccc2C[C@H]3[C@H](COC3=O)[C@@H](\C=C\c3ccc(cn3)-c3cccc(Cl)c3)c12
Show InChI InChI=1S/C25H19ClFNO2/c26-18-5-1-3-15(11-18)17-7-8-19(28-13-17)9-10-20-22-14-30-25(29)21(22)12-16-4-2-6-23(27)24(16)20/h1-11,13,20-22H,12,14H2/b10-9+/t20-,21+,22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 330n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50212442
PNG
((3R,3aS,4S,9aR,E)-4-(2-(6-methoxyquinolin-2-yl)vin...)
Show SMILES COc1ccc2nc(\C=C\[C@H]3[C@@H]4[C@@H](C)OC(=O)[C@@H]4Cc4ccccc34)ccc2c1
Show InChI InChI=1S/C25H23NO3/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/h3-13,15,21-22,24H,14H2,1-2H3/b11-9+/t15-,21-,22-,24+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 580n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50212449
PNG
((3S,3aS,4S,9aR,E)-4-(2-(6-methoxyquinolin-2-yl)vin...)
Show SMILES COc1ccc2nc(\C=C\[C@H]3[C@@H]4[C@H](C)OC(=O)[C@@H]4Cc4ccccc34)ccc2c1
Show InChI InChI=1S/C25H23NO3/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/h3-13,15,21-22,24H,14H2,1-2H3/b11-9+/t15-,21+,22+,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.14E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50212434
PNG
((3S,3aR,4R,9aS,E)-4-(2-(6-methoxyquinolin-2-yl)vin...)
Show SMILES COc1ccc2nc(\C=C\[C@@H]3[C@H]4[C@H](C)OC(=O)[C@H]4Cc4ccccc34)ccc2c1
Show InChI InChI=1S/C25H23NO3/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/h3-13,15,21-22,24H,14H2,1-2H3/b11-9+/t15-,21-,22-,24+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.17E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50212433
PNG
((3aS,4S,9aR,E)-4-(2-(pyridin-2-yl)vinyl)-3a,4,9,9a...)
Show SMILES O=C1OC[C@@H]2[C@H]1Cc1ccccc1[C@H]2\C=C\c1ccccn1
Show InChI InChI=1S/C19H17NO2/c21-19-17-11-13-5-1-2-7-15(13)16(18(17)12-22-19)9-8-14-6-3-4-10-20-14/h1-10,16-18H,11-12H2/b9-8+/t16-,17-,18+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%