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PubMed code 11597414

Compile data set for download or QSAR
Found 10 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))
BDBM50105701
PNG
(1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-2-[2-imino-...)
Show SMILES Cc1ccc(Cn2c3ccccc3n(CC(=O)c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)c2=N)cc1
Show InChI InChI=1S/C31H37N3O2/c1-20-12-14-21(15-13-20)18-33-25-10-8-9-11-26(25)34(29(33)32)19-27(35)22-16-23(30(2,3)4)28(36)24(17-22)31(5,6)7/h8-17,32,36H,18-19H2,1-7H3
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PubMed
n/an/a 33n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against potent thrombin receptor-1 (PAR-1) on human platelets


Bioorg Med Chem Lett 11: 2851-3 (2001)


Article DOI: 10.1016/s0960-894x(01)00555-8
BindingDB Entry DOI: 10.7270/Q2NP23PC
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50105698
PNG
(2-(3-Benzyl-2-imino-2,3-dihydro-benzoimidazol-1-yl...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)Cn1c2ccccc2n(Cc2ccccc2)c1=N
Show InChI InChI=1S/C30H35N3O2/c1-29(2,3)22-16-21(17-23(27(22)35)30(4,5)6)26(34)19-33-25-15-11-10-14-24(25)32(28(33)31)18-20-12-8-7-9-13-20/h7-17,31,35H,18-19H2,1-6H3
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n/an/a 65n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against potent thrombin receptor-1 (PAR-1) on human platelets


Bioorg Med Chem Lett 11: 2851-3 (2001)


Article DOI: 10.1016/s0960-894x(01)00555-8
BindingDB Entry DOI: 10.7270/Q2NP23PC
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50105697
PNG
(1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-2-[2-imino-...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)Cn1c2ccccc2n(CCN2CCOCC2)c1=N
Show InChI InChI=1S/C29H40N4O3/c1-28(2,3)21-17-20(18-22(26(21)35)29(4,5)6)25(34)19-33-24-10-8-7-9-23(24)32(27(33)30)12-11-31-13-15-36-16-14-31/h7-10,17-18,30,35H,11-16,19H2,1-6H3
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n/an/a 98n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against potent thrombin receptor-1 (PAR-1) on human platelets


Bioorg Med Chem Lett 11: 2851-3 (2001)


Article DOI: 10.1016/s0960-894x(01)00555-8
BindingDB Entry DOI: 10.7270/Q2NP23PC
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50105702
PNG
(2-(3-Butyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)...)
Show SMILES CCCCn1c2ccccc2n(CC(=O)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)c1=N
Show InChI InChI=1S/C27H37N3O2/c1-8-9-14-29-21-12-10-11-13-22(21)30(25(29)28)17-23(31)18-15-19(26(2,3)4)24(32)20(16-18)27(5,6)7/h10-13,15-16,28,32H,8-9,14,17H2,1-7H3
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n/an/a 359n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against potent thrombin receptor-1 (PAR-1) on human platelets


Bioorg Med Chem Lett 11: 2851-3 (2001)


Article DOI: 10.1016/s0960-894x(01)00555-8
BindingDB Entry DOI: 10.7270/Q2NP23PC
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50105700
PNG
(2-[3-(4-tert-Butyl-benzyl)-2-imino-2,3-dihydro-ben...)
Show SMILES CC(C)(C)c1ccc(Cn2c3ccccc3n(CC(=O)c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)c2=N)cc1
Show InChI InChI=1S/C34H43N3O2/c1-32(2,3)24-16-14-22(15-17-24)20-36-27-12-10-11-13-28(27)37(31(36)35)21-29(38)23-18-25(33(4,5)6)30(39)26(19-23)34(7,8)9/h10-19,35,39H,20-21H2,1-9H3
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n/an/a 734n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against potent thrombin receptor-1 (PAR-1) on human platelets


Bioorg Med Chem Lett 11: 2851-3 (2001)


Article DOI: 10.1016/s0960-894x(01)00555-8
BindingDB Entry DOI: 10.7270/Q2NP23PC
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50105706
PNG
(1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-2-(2-imino-...)
Show SMILES Cn1c2ccccc2n(CC(=O)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)c1=N
Show InChI InChI=1S/C24H31N3O2/c1-23(2,3)16-12-15(13-17(21(16)29)24(4,5)6)20(28)14-27-19-11-9-8-10-18(19)26(7)22(27)25/h8-13,25,29H,14H2,1-7H3
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n/an/a 900n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against potent thrombin receptor-1 (PAR-1) on human platelets


Bioorg Med Chem Lett 11: 2851-3 (2001)


Article DOI: 10.1016/s0960-894x(01)00555-8
BindingDB Entry DOI: 10.7270/Q2NP23PC
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50105703
PNG
(1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-2-(3-heptyl...)
Show SMILES CCCCCCCn1c2ccccc2n(CC(=O)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)c1=N
Show InChI InChI=1S/C30H43N3O2/c1-8-9-10-11-14-17-32-24-15-12-13-16-25(24)33(28(32)31)20-26(34)21-18-22(29(2,3)4)27(35)23(19-21)30(5,6)7/h12-13,15-16,18-19,31,35H,8-11,14,17,20H2,1-7H3
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n/an/a 964n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against potent thrombin receptor-1 (PAR-1) on human platelets


Bioorg Med Chem Lett 11: 2851-3 (2001)


Article DOI: 10.1016/s0960-894x(01)00555-8
BindingDB Entry DOI: 10.7270/Q2NP23PC
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50105699
PNG
(1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-2-[3-(3,4-d...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)Cn1c2ccccc2n(Cc2ccc(Cl)c(Cl)c2)c1=N
Show InChI InChI=1S/C30H33Cl2N3O2/c1-29(2,3)20-14-19(15-21(27(20)37)30(4,5)6)26(36)17-35-25-10-8-7-9-24(25)34(28(35)33)16-18-11-12-22(31)23(32)13-18/h7-15,33,37H,16-17H2,1-6H3
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n/an/a 1.32E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against potent thrombin receptor-1 (PAR-1) on human platelets


Bioorg Med Chem Lett 11: 2851-3 (2001)


Article DOI: 10.1016/s0960-894x(01)00555-8
BindingDB Entry DOI: 10.7270/Q2NP23PC
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50105705
PNG
(1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-2-(2-imino-...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)Cn1c(N)nc2ccccc12
Show InChI InChI=1S/C23H29N3O2/c1-22(2,3)15-11-14(12-16(20(15)28)23(4,5)6)19(27)13-26-18-10-8-7-9-17(18)25-21(26)24/h7-12,28H,13H2,1-6H3,(H2,24,25)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against potent thrombin receptor-1 (PAR-1) on human platelets


Bioorg Med Chem Lett 11: 2851-3 (2001)


Article DOI: 10.1016/s0960-894x(01)00555-8
BindingDB Entry DOI: 10.7270/Q2NP23PC
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50105704
PNG
(1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-2-[2-imino-...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)Cn1c2ccccc2n(CCN2CCCCC2)c1=N
Show InChI InChI=1S/C30H42N4O2/c1-29(2,3)22-18-21(19-23(27(22)36)30(4,5)6)26(35)20-34-25-13-9-8-12-24(25)33(28(34)31)17-16-32-14-10-7-11-15-32/h8-9,12-13,18-19,31,36H,7,10-11,14-17,20H2,1-6H3
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n/an/a 2.87E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against potent thrombin receptor-1 (PAR-1) on human platelets


Bioorg Med Chem Lett 11: 2851-3 (2001)


Article DOI: 10.1016/s0960-894x(01)00555-8
BindingDB Entry DOI: 10.7270/Q2NP23PC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%