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PubMed code 11297447

Compile data set for download or QSAR
Found 18 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
Prothrombin


(Homo sapiens (Human))
BDBM50098216
PNG
(2-Amino-4-({benzylcarbamoyl-[2-{3-[1-(2,6-dichloro...)
Show SMILES NC(CCN[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1)C(O)=O
Show InChI InChI=1S/C43H46Cl2F2N8O5/c44-32-9-6-10-33(45)31(32)25-55-24-28(23-54-17-4-5-18-54)30-13-12-29(21-38(30)55)51-43(60)52-37(20-27-11-14-34(46)35(47)19-27)40(56)53-39(49-16-15-36(48)42(58)59)41(57)50-22-26-7-2-1-3-8-26/h1-3,6-14,19,21,24,36-37,39,49H,4-5,15-18,20,22-23,25,48H2,(H,50,57)(H,53,56)(H,58,59)(H2,51,52,60)/t36?,37-,39+/m0/s1
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n/an/a 340n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro antagonist activity against Thrombin induced gel-filtered platelet (GFP) aggregation at 0.15 nM.


J Med Chem 44: 1021-4 (2001)


Article DOI: 10.1021/jm000506s
BindingDB Entry DOI: 10.7270/Q24X571D
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50098215
PNG
(4-Amino-N-benzyl-2-[2-{3-[1-(2,6-dichloro-benzyl)-...)
Show SMILES NCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)nn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C40H42Cl2F2N8O3/c41-30-9-6-10-31(42)29(30)23-52-37-21-27(12-13-28(37)36(50-52)24-51-17-4-5-18-51)47-40(55)49-35(20-26-11-14-32(43)33(44)19-26)39(54)48-34(15-16-45)38(53)46-22-25-7-2-1-3-8-25/h1-3,6-14,19,21,34-35H,4-5,15-18,20,22-24,45H2,(H,46,53)(H,48,54)(H2,47,49,55)/t34-,35-/m0/s1
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n/an/a 370n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro antagonist activity against Thrombin induced gel-filtered platelet (GFP) aggregation at 0.15 nM.


J Med Chem 44: 1021-4 (2001)


Article DOI: 10.1021/jm000506s
BindingDB Entry DOI: 10.7270/Q24X571D
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50098212
PNG
((S)-2-[(S)-2-{3-[1-(2,6-Dichloro-benzyl)-3-pyrroli...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C43H47Cl2F2N9O3/c44-33-10-6-11-34(45)32(33)26-56-25-29(24-55-18-4-5-19-55)31-15-14-30(22-39(31)56)52-43(59)54-38(21-28-13-16-35(46)36(47)20-28)41(58)53-37(12-7-17-50-42(48)49)40(57)51-23-27-8-2-1-3-9-27/h1-3,6,8-11,13-16,20,22,25,37-38H,4-5,7,12,17-19,21,23-24,26H2,(H,51,57)(H,53,58)(H4,48,49,50)(H2,52,54,59)/t37-,38-/m0/s1
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro antagonist activity against Thrombin induced gel-filtered platelet (GFP) aggregation at 0.15 nM.


J Med Chem 44: 1021-4 (2001)


Article DOI: 10.1021/jm000506s
BindingDB Entry DOI: 10.7270/Q24X571D
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50098211
PNG
((S)-2-[(S)-2-{3-[1-(2,6-Dichloro-benzyl)-3-pyrroli...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4c(Cl)cccc4Cl)c3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C44H51Cl2N9O4/c1-59-33-17-14-29(15-18-33)23-39(42(57)52-38(13-8-20-49-43(47)48)41(56)50-25-30-9-3-2-4-10-30)53-44(58)51-32-16-19-34-31(26-54-21-5-6-22-54)27-55(40(34)24-32)28-35-36(45)11-7-12-37(35)46/h2-4,7,9-12,14-19,24,27,38-39H,5-6,8,13,20-23,25-26,28H2,1H3,(H,50,56)(H,52,57)(H4,47,48,49)(H2,51,53,58)/t38-,39-/m0/s1
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro antagonist activity against Thrombin induced gel-filtered platelet (GFP) aggregation at 0.15 nM.


J Med Chem 44: 1021-4 (2001)


Article DOI: 10.1021/jm000506s
BindingDB Entry DOI: 10.7270/Q24X571D
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50098214
PNG
(2-[2-{3-[1-(2,6-Dichloro-benzyl)-3-pyrrolidin-1-yl...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccncc1
Show InChI InChI=1S/C42H46Cl2F2N10O3/c43-32-5-3-6-33(44)31(32)25-56-24-28(23-55-17-1-2-18-55)30-10-9-29(21-38(30)56)52-42(59)54-37(20-27-8-11-34(45)35(46)19-27)40(58)53-36(7-4-14-50-41(47)48)39(57)51-22-26-12-15-49-16-13-26/h3,5-6,8-13,15-16,19,21,24,36-37H,1-2,4,7,14,17-18,20,22-23,25H2,(H,51,57)(H,53,58)(H4,47,48,50)(H2,52,54,59)/t36-,37-/m0/s1
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n/an/a 1.06E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro antagonist activity against Thrombin induced gel-filtered platelet (GFP) aggregation at 0.15 nM.


J Med Chem 44: 1021-4 (2001)


Article DOI: 10.1021/jm000506s
BindingDB Entry DOI: 10.7270/Q24X571D
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50098218
PNG
((S)-2-[(S)-2-{3-[1-(4-Fluoro-benzyl)-3-pyrrolidin-...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4ccc(F)cc4)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C44H52FN9O4/c1-58-36-18-13-30(14-19-36)24-39(42(56)51-38(10-7-21-48-43(46)47)41(55)49-26-31-8-3-2-4-9-31)52-44(57)50-35-17-20-37-33(28-53-22-5-6-23-53)29-54(40(37)25-35)27-32-11-15-34(45)16-12-32/h2-4,8-9,11-20,25,29,38-39H,5-7,10,21-24,26-28H2,1H3,(H,49,55)(H,51,56)(H4,46,47,48)(H2,50,52,57)/t38-,39-/m0/s1
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n/an/a 2.32E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro antagonist activity against Thrombin induced gel-filtered platelet (GFP) aggregation at 0.15 nM.


J Med Chem 44: 1021-4 (2001)


Article DOI: 10.1021/jm000506s
BindingDB Entry DOI: 10.7270/Q24X571D
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50098213
PNG
(2-(2-{3-[1-(4-Fluoro-benzyl)-3-pyrrolidin-1-ylmeth...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3ccc(F)cc3)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C43H50FN9O3/c44-34-17-15-32(16-18-34)27-53-29-33(28-52-22-7-8-23-52)36-20-19-35(25-39(36)53)49-43(56)51-38(24-30-10-3-1-4-11-30)41(55)50-37(14-9-21-47-42(45)46)40(54)48-26-31-12-5-2-6-13-31/h1-6,10-13,15-20,25,29,37-38H,7-9,14,21-24,26-28H2,(H,48,54)(H,50,55)(H4,45,46,47)(H2,49,51,56)/t37-,38-/m0/s1
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n/an/a 1.33E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro antagonist activity against Thrombin induced gel-filtered platelet (GFP) aggregation at 0.15 nM.


J Med Chem 44: 1021-4 (2001)


Article DOI: 10.1021/jm000506s
BindingDB Entry DOI: 10.7270/Q24X571D
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50098217
PNG
(2-[2-{3-[3-Cyclopentylaminomethyl-1-(4-fluoro-benz...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CNC4CCCC4)cn(Cc4ccc(F)cc4)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C45H54FN9O4/c1-59-37-20-15-30(16-21-37)24-40(43(57)53-39(12-7-23-49-44(47)48)42(56)51-26-31-8-3-2-4-9-31)54-45(58)52-36-19-22-38-33(27-50-35-10-5-6-11-35)29-55(41(38)25-36)28-32-13-17-34(46)18-14-32/h2-4,8-9,13-22,25,29,35,39-40,50H,5-7,10-12,23-24,26-28H2,1H3,(H,51,56)(H,53,57)(H4,47,48,49)(H2,52,54,58)/t39-,40-/m0/s1
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n/an/a 1.78E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro antagonist activity against Thrombin induced gel-filtered platelet (GFP) aggregation at 0.15 nM.


J Med Chem 44: 1021-4 (2001)


Article DOI: 10.1021/jm000506s
BindingDB Entry DOI: 10.7270/Q24X571D
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50098210
PNG
(5-Guanidino-2-(3-(4-methoxy-phenyl)-2-{3-[3-pyrrol...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4ccc(OC(F)(F)F)cc4)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C45H52F3N9O5/c1-61-35-16-11-30(12-17-35)24-39(42(59)54-38(10-7-21-51-43(49)50)41(58)52-26-31-8-3-2-4-9-31)55-44(60)53-34-15-20-37-33(28-56-22-5-6-23-56)29-57(40(37)25-34)27-32-13-18-36(19-14-32)62-45(46,47)48/h2-4,8-9,11-20,25,29,38-39H,5-7,10,21-24,26-28H2,1H3,(H,52,58)(H,54,59)(H4,49,50,51)(H2,53,55,60)/t38-,39-/m0/s1
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n/an/a 1.82E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro antagonist activity against Thrombin induced gel-filtered platelet (GFP) aggregation at 0.15 nM.


J Med Chem 44: 1021-4 (2001)


Article DOI: 10.1021/jm000506s
BindingDB Entry DOI: 10.7270/Q24X571D
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50098216
PNG
(2-Amino-4-({benzylcarbamoyl-[2-{3-[1-(2,6-dichloro...)
Show SMILES NC(CCN[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1)C(O)=O
Show InChI InChI=1S/C43H46Cl2F2N8O5/c44-32-9-6-10-33(45)31(32)25-55-24-28(23-54-17-4-5-18-54)30-13-12-29(21-38(30)55)51-43(60)52-37(20-27-11-14-34(46)35(47)19-27)40(56)53-39(49-16-15-36(48)42(58)59)41(57)50-22-26-7-2-1-3-8-26/h1-3,6-14,19,21,24,36-37,39,49H,4-5,15-18,20,22-23,25,48H2,(H,50,57)(H,53,56)(H,58,59)(H2,51,52,60)/t36?,37-,39+/m0/s1
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n/an/an/a 0.440n/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Protease-activated receptor (PAR-1) using [3H]-s-(p-F-Phe)-homoarginine-L-homoarginine-KY-NH2, 10 nM (Kd= 15 nM)


J Med Chem 44: 1021-4 (2001)


Article DOI: 10.1021/jm000506s
BindingDB Entry DOI: 10.7270/Q24X571D
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50098215
PNG
(4-Amino-N-benzyl-2-[2-{3-[1-(2,6-dichloro-benzyl)-...)
Show SMILES NCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)nn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C40H42Cl2F2N8O3/c41-30-9-6-10-31(42)29(30)23-52-37-21-27(12-13-28(37)36(50-52)24-51-17-4-5-18-51)47-40(55)49-35(20-26-11-14-32(43)33(44)19-26)39(54)48-34(15-16-45)38(53)46-22-25-7-2-1-3-8-25/h1-3,6-14,19,21,34-35H,4-5,15-18,20,22-24,45H2,(H,46,53)(H,48,54)(H2,47,49,55)/t34-,35-/m0/s1
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n/an/an/a 0.150n/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding Affinity of ligand against Protease-activated Receptor (PAR-1) using [3H]-s-(p-F-Phe)-homoarginine-L-homoarginine-KY-NH2, 10 nM (Kd= 15 nM)


J Med Chem 44: 1021-4 (2001)


Article DOI: 10.1021/jm000506s
BindingDB Entry DOI: 10.7270/Q24X571D
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50098217
PNG
(2-[2-{3-[3-Cyclopentylaminomethyl-1-(4-fluoro-benz...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CNC4CCCC4)cn(Cc4ccc(F)cc4)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C45H54FN9O4/c1-59-37-20-15-30(16-21-37)24-40(43(57)53-39(12-7-23-49-44(47)48)42(56)51-26-31-8-3-2-4-9-31)54-45(58)52-36-19-22-38-33(27-50-35-10-5-6-11-35)29-55(41(38)25-36)28-32-13-17-34(46)18-14-32/h2-4,8-9,13-22,25,29,35,39-40,50H,5-7,10-12,23-24,26-28H2,1H3,(H,51,56)(H,53,57)(H4,47,48,49)(H2,52,54,58)/t39-,40-/m0/s1
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n/an/an/a 10.7n/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Protease-activated receptor (PAR-1) using [3H]-s-(p-F-Phe)-homoarginine-L-homoarginine-KY-NH2, 10 nM (Kd= 15 nM)


J Med Chem 44: 1021-4 (2001)


Article DOI: 10.1021/jm000506s
BindingDB Entry DOI: 10.7270/Q24X571D
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50098218
PNG
((S)-2-[(S)-2-{3-[1-(4-Fluoro-benzyl)-3-pyrrolidin-...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4ccc(F)cc4)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C44H52FN9O4/c1-58-36-18-13-30(14-19-36)24-39(42(56)51-38(10-7-21-48-43(46)47)41(55)49-26-31-8-3-2-4-9-31)52-44(57)50-35-17-20-37-33(28-53-22-5-6-23-53)29-54(40(37)25-35)27-32-11-15-34(45)16-12-32/h2-4,8-9,11-20,25,29,38-39H,5-7,10,21-24,26-28H2,1H3,(H,49,55)(H,51,56)(H4,46,47,48)(H2,50,52,57)/t38-,39-/m0/s1
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n/an/an/a 2.20n/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Protease-activated receptor (PAR-1) using [3H]-s-(p-F-Phe)-homoarginine-L-homoarginine-KY-NH2, 10 nM (Kd= 15 nM)


J Med Chem 44: 1021-4 (2001)


Article DOI: 10.1021/jm000506s
BindingDB Entry DOI: 10.7270/Q24X571D
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50098210
PNG
(5-Guanidino-2-(3-(4-methoxy-phenyl)-2-{3-[3-pyrrol...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4ccc(OC(F)(F)F)cc4)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C45H52F3N9O5/c1-61-35-16-11-30(12-17-35)24-39(42(59)54-38(10-7-21-51-43(49)50)41(58)52-26-31-8-3-2-4-9-31)55-44(60)53-34-15-20-37-33(28-56-22-5-6-23-56)29-57(40(37)25-34)27-32-13-18-36(19-14-32)62-45(46,47)48/h2-4,8-9,11-20,25,29,38-39H,5-7,10,21-24,26-28H2,1H3,(H,52,58)(H,54,59)(H4,49,50,51)(H2,53,55,60)/t38-,39-/m0/s1
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n/an/an/a 2.40n/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Protease-activated receptor (PAR-1) using [3H]-s-(p-F-Phe)-homoarginine-L-homoarginine-KY-NH2, 10 nM (Kd= 15 nM)


J Med Chem 44: 1021-4 (2001)


Article DOI: 10.1021/jm000506s
BindingDB Entry DOI: 10.7270/Q24X571D
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50098213
PNG
(2-(2-{3-[1-(4-Fluoro-benzyl)-3-pyrrolidin-1-ylmeth...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3ccc(F)cc3)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C43H50FN9O3/c44-34-17-15-32(16-18-34)27-53-29-33(28-52-22-7-8-23-52)36-20-19-35(25-39(36)53)49-43(56)51-38(24-30-10-3-1-4-11-30)41(55)50-37(14-9-21-47-42(45)46)40(54)48-26-31-12-5-2-6-13-31/h1-6,10-13,15-20,25,29,37-38H,7-9,14,21-24,26-28H2,(H,48,54)(H,50,55)(H4,45,46,47)(H2,49,51,56)/t37-,38-/m0/s1
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n/an/an/a 0.700n/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Protease-activated receptor (PAR-1) using [3H]-s-(p-F-Phe)-homoarginine-L-homoarginine-KY-NH2, 10 nM (Kd= 15 nM)


J Med Chem 44: 1021-4 (2001)


Article DOI: 10.1021/jm000506s
BindingDB Entry DOI: 10.7270/Q24X571D
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50098214
PNG
(2-[2-{3-[1-(2,6-Dichloro-benzyl)-3-pyrrolidin-1-yl...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccncc1
Show InChI InChI=1S/C42H46Cl2F2N10O3/c43-32-5-3-6-33(44)31(32)25-56-24-28(23-55-17-1-2-18-55)30-10-9-29(21-38(30)56)52-42(59)54-37(20-27-8-11-34(45)35(46)19-27)40(58)53-36(7-4-14-50-41(47)48)39(57)51-22-26-12-15-49-16-13-26/h3,5-6,8-13,15-16,19,21,24,36-37H,1-2,4,7,14,17-18,20,22-23,25H2,(H,51,57)(H,53,58)(H4,47,48,50)(H2,52,54,59)/t36-,37-/m0/s1
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n/an/an/a 0.0400n/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Protease-activated receptor (PAR-1) using [3H]-s-(p-F-Phe)-homoarginine-L-homoarginine-KY-NH2, 10 nM (Kd= 15 nM)


J Med Chem 44: 1021-4 (2001)


Article DOI: 10.1021/jm000506s
BindingDB Entry DOI: 10.7270/Q24X571D
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50098212
PNG
((S)-2-[(S)-2-{3-[1-(2,6-Dichloro-benzyl)-3-pyrroli...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C43H47Cl2F2N9O3/c44-33-10-6-11-34(45)32(33)26-56-25-29(24-55-18-4-5-19-55)31-15-14-30(22-39(31)56)52-43(59)54-38(21-28-13-16-35(46)36(47)20-28)41(58)53-37(12-7-17-50-42(48)49)40(57)51-23-27-8-2-1-3-9-27/h1-3,6,8-11,13-16,20,22,25,37-38H,4-5,7,12,17-19,21,23-24,26H2,(H,51,57)(H,53,58)(H4,48,49,50)(H2,52,54,59)/t37-,38-/m0/s1
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n/an/an/a 0.820n/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Protease-activated receptor (PAR-1) using [3H]-s-(p-F-Phe)-homoarginine-L-homoarginine-KY-NH2, 10 nM (Kd= 15 nM)


J Med Chem 44: 1021-4 (2001)


Article DOI: 10.1021/jm000506s
BindingDB Entry DOI: 10.7270/Q24X571D
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50098211
PNG
((S)-2-[(S)-2-{3-[1-(2,6-Dichloro-benzyl)-3-pyrroli...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4c(Cl)cccc4Cl)c3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C44H51Cl2N9O4/c1-59-33-17-14-29(15-18-33)23-39(42(57)52-38(13-8-20-49-43(47)48)41(56)50-25-30-9-3-2-4-10-30)53-44(58)51-32-16-19-34-31(26-54-21-5-6-22-54)27-55(40(34)24-32)28-35-36(45)11-7-12-37(35)46/h2-4,7,9-12,14-19,24,27,38-39H,5-6,8,13,20-23,25-26,28H2,1H3,(H,50,56)(H,52,57)(H4,47,48,49)(H2,51,53,58)/t38-,39-/m0/s1
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n/an/an/a 1.30n/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Protease-activated receptor (PAR-1) using [3H]-s-(p-F-Phe)-homoarginine-L-homoarginine-KY-NH2, 10 nM (Kd= 15 nM)


J Med Chem 44: 1021-4 (2001)


Article DOI: 10.1021/jm000506s
BindingDB Entry DOI: 10.7270/Q24X571D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%