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Compile Data Set for Download or QSAR

Found 73 hits with Last Name = 'cho' and Initial = 'wy'   
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


(Homo sapiens (Human))
BDBM50261110
PNG
(CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...)
Show 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 |r,w:21.23|
Show InChI InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/t17-,20+,23-,24-,25+,26-,27+/m1/s1
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n/an/a 1.10n/an/an/an/an/an/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))
BDBM50443584
PNG
(CHEMBL3091980)
Show SMILES CN(C1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C24H29FN2O2S/c1-27(30(2,28)29)24-15-18-6-3-4-9-22(18)23(24)13-12-21-11-10-19(16-26-21)17-7-5-8-20(25)14-17/h5,7-8,10-14,16,18,22-24H,3-4,6,9,15H2,1-2H3/b13-12+/t18-,22-,23+,24?/m0/s1
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n/an/a 1.30n/an/an/an/an/an/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
PNG
(CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...)
Show 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 |r,w:21.23|
Show InChI InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/t17-,20+,23-,24-,25+,26-,27+/m1/s1
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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))
BDBM50443584
PNG
(CHEMBL3091980)
Show SMILES CN(C1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C24H29FN2O2S/c1-27(30(2,28)29)24-15-18-6-3-4-9-22(18)23(24)13-12-21-11-10-19(16-26-21)17-7-5-8-20(25)14-17/h5,7-8,10-14,16,18,22-24H,3-4,6,9,15H2,1-2H3/b13-12+/t18-,22-,23+,24?/m0/s1
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n/an/a 2.20n/an/an/an/an/an/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))
BDBM50443580
PNG
(CHEMBL3091993)
Show SMILES CC1(C[C@@H]2CCCC[C@@H]2[C@H]1C=Cc1ccc(cn1)-c1cccc(F)c1)OC(N)=O |r,w:11.13|
Show InChI InChI=1S/C24H27FN2O2/c1-24(29-23(26)28)14-17-5-2-3-8-21(17)22(24)12-11-20-10-9-18(15-27-20)16-6-4-7-19(25)13-16/h4,6-7,9-13,15,17,21-22H,2-3,5,8,14H2,1H3,(H2,26,28)/t17-,21-,22+,24?/m0/s1
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n/an/a 2.70n/an/an/an/an/an/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))
BDBM50443580
PNG
(CHEMBL3091993)
Show SMILES CC1(C[C@@H]2CCCC[C@@H]2[C@H]1C=Cc1ccc(cn1)-c1cccc(F)c1)OC(N)=O |r,w:11.13|
Show InChI InChI=1S/C24H27FN2O2/c1-24(29-23(26)28)14-17-5-2-3-8-21(17)22(24)12-11-20-10-9-18(15-27-20)16-6-4-7-19(25)13-16/h4,6-7,9-13,15,17,21-22H,2-3,5,8,14H2,1H3,(H2,26,28)/t17-,21-,22+,24?/m0/s1
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n/an/a 2.90n/an/an/an/an/an/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))
BDBM50443581
PNG
(CHEMBL3091991)
Show SMILES CN(C1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1)C(C)=O |r|
Show InChI InChI=1S/C25H29FN2O/c1-17(29)28(2)25-15-19-6-3-4-9-23(19)24(25)13-12-22-11-10-20(16-27-22)18-7-5-8-21(26)14-18/h5,7-8,10-14,16,19,23-25H,3-4,6,9,15H2,1-2H3/b13-12+/t19-,23-,24+,25?/m0/s1
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n/an/a 5.40n/an/an/an/an/an/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))
BDBM50443586
PNG
(CHEMBL3091975)
Show SMILES CS(=O)(=O)OC1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C23H26FNO3S/c1-29(26,27)28-23-14-17-5-2-3-8-21(17)22(23)12-11-20-10-9-18(15-25-20)16-6-4-7-19(24)13-16/h4,6-7,9-13,15,17,21-23H,2-3,5,8,14H2,1H3/b12-11+/t17-,21-,22+,23?/m0/s1
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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))
BDBM50443586
PNG
(CHEMBL3091975)
Show SMILES CS(=O)(=O)OC1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C23H26FNO3S/c1-29(26,27)28-23-14-17-5-2-3-8-21(17)22(23)12-11-20-10-9-18(15-25-20)16-6-4-7-19(24)13-16/h4,6-7,9-13,15,17,21-23H,2-3,5,8,14H2,1H3/b12-11+/t17-,21-,22+,23?/m0/s1
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n/an/a 6.40n/an/an/an/an/an/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
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM624845
PNG
(US20230322706, Example 29)
Show SMILES CCOc1cccnc1Oc1cccc(c1)-c1cncc(NC(=O)C(C)(C)c2ccc(CC(C)(C)C(O)=O)cc2)n1
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n/an/a 6.70n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443583
PNG
(CHEMBL3091981)
Show SMILES Fc1cccc(c1)-c1ccc(C=C[C@@H]2[C@H]3CCCC[C@H]3CC22CNC(=O)O2)nc1 |r,w:11.11|
Show InChI InChI=1S/C24H25FN2O2/c25-19-6-3-5-16(12-19)18-8-9-20(26-14-18)10-11-22-21-7-2-1-4-17(21)13-24(22)15-27-23(28)29-24/h3,5-6,8-12,14,17,21-22H,1-2,4,7,13,15H2,(H,27,28)/t17-,21-,22+,24?/m0/s1
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n/an/a 7.20n/an/an/an/an/an/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
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM624843
PNG
(US20230322706, Example 27 | US20230322706, Example...)
Show SMILES CCOc1cccnc1Oc1cccc(c1)-c1cncc(NC(=O)Cc2ccc(CC(C)(C)C(O)=O)cc2)n1
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n/an/a 7.40n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443583
PNG
(CHEMBL3091981)
Show SMILES Fc1cccc(c1)-c1ccc(C=C[C@@H]2[C@H]3CCCC[C@H]3CC22CNC(=O)O2)nc1 |r,w:11.11|
Show InChI InChI=1S/C24H25FN2O2/c25-19-6-3-5-16(12-19)18-8-9-20(26-14-18)10-11-22-21-7-2-1-4-17(21)13-24(22)15-27-23(28)29-24/h3,5-6,8-12,14,17,21-22H,1-2,4,7,13,15H2,(H,27,28)/t17-,21-,22+,24?/m0/s1
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n/an/a 8.60n/an/an/an/an/an/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
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM624819
PNG
(US20230322706, Example 5)
Show SMILES CCOc1ccccc1Oc1cncc(c1)-c1cncc(NC(=O)CCc2ccc(cc2)C(C)(C)C(=O)OC)n1
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n/an/a 11n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM624829
PNG
(US20230322706, Example 15)
Show SMILES CCOc1ccccc1Oc1cccc(c1)-c1cncc(NC(=O)Cc2ccc(CC(C)(C)C(O)=O)cc2)n1
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n/an/a 13n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM624824
PNG
(US20230322706, Example 10)
Show SMILES CCOc1ccccc1Oc1cccc(c1)-c1cncc(NC(=O)CCc2ccccc2)n1
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n/an/a 19n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM624841
PNG
(US20230322706, Example 26)
Show SMILES CCOc1cccnc1Oc1cccc(c1)-c1cncc(NC(=O)CCc2ccc(cc2)C(C)(C)C(O)=O)n1
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n/an/a 21n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM624830
PNG
(US20230322706, Example 16)
Show SMILES CCOc1ccccc1Oc1cccc(c1)-c1cncc(NC(=O)CCc2ccc(cc2)C(C)(C)C(O)=O)n1
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM624832
PNG
(US20230322706, Example 18)
Show SMILES CCOc1ccccc1Oc1cccc(c1)-c1cncc(NC(=O)C(C)(C)c2ccc(CC(C)(C)C(O)=O)cc2)n1
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n/an/a 22n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443585
PNG
(CHEMBL3091994)
Show SMILES Fc1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3CCCC[C@H]3CC22OCCO2)nc1 |r|
Show InChI InChI=1S/C24H26FNO2/c25-20-6-3-5-17(14-20)19-8-9-21(26-16-19)10-11-23-22-7-2-1-4-18(22)15-24(23)27-12-13-28-24/h3,5-6,8-11,14,16,18,22-23H,1-2,4,7,12-13,15H2/b11-10+/t18-,22-,23+/m0/s1
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n/an/a 26n/an/an/an/an/an/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
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM624812
PNG
(US20230322706, Example 2)
Show SMILES CCOc1ccccc1Oc1cncc(c1)-c1cncc(NC(=O)Cc2ccc(CC(=O)OC)cc2)n1
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n/an/a 27n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443589
PNG
(CHEMBL3091992)
Show SMILES CC1(O)C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C23H26FNO/c1-23(26)14-17-5-2-3-8-21(17)22(23)12-11-20-10-9-18(15-25-20)16-6-4-7-19(24)13-16/h4,6-7,9-13,15,17,21-22,26H,2-3,5,8,14H2,1H3/b12-11+/t17-,21-,22+,23?/m0/s1
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n/an/a 33n/an/an/an/an/an/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
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM624811
PNG
(US20230322706, Example 1)
Show SMILES CCOc1ccccc1Oc1cncc(c1)-c1cncc(NC(=O)OCc2ccccc2)n1
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n/an/a 35n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM624821
PNG
(US20230322706, Example 7)
Show SMILES CCOc1ccccc1Oc1cncc(c1)-c1cncc(NC(=O)Cc2ccc(CC(C)(C)C(O)=O)cc2)n1
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Citation and Details
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443597
PNG
(CHEMBL3091982)
Show SMILES COC1(C)C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C24H28FNO/c1-24(27-2)15-18-6-3-4-9-22(18)23(24)13-12-21-11-10-19(16-26-21)17-7-5-8-20(25)14-17/h5,7-8,10-14,16,18,22-23H,3-4,6,9,15H2,1-2H3/b13-12+/t18-,22-,23+,24?/m0/s1
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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))
BDBM50443582
PNG
(CHEMBL3091989)
Show SMILES CS(=O)(=O)NC1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C23H27FN2O2S/c1-29(27,28)26-23-14-17-5-2-3-8-21(17)22(23)12-11-20-10-9-18(15-25-20)16-6-4-7-19(24)13-16/h4,6-7,9-13,15,17,21-23,26H,2-3,5,8,14H2,1H3/b12-11+/t17-,21-,22+,23?/m0/s1
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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))
BDBM50443598
PNG
(CHEMBL3091979)
Show SMILES CC(=O)NC1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C24H27FN2O/c1-16(28)27-24-14-18-5-2-3-8-22(18)23(24)12-11-21-10-9-19(15-26-21)17-6-4-7-20(25)13-17/h4,6-7,9-13,15,18,22-24H,2-3,5,8,14H2,1H3,(H,27,28)/b12-11+/t18-,22-,23+,24?/m0/s1
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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
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM624838
PNG
(US20230322706, Example 23)
Show SMILES CCOc1ccccc1Oc1cccc(n1)-c1cncc(NC(=O)Cc2ccc(CC(C)(C)C(O)=O)cc2)n1
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Citation and Details
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443595
PNG
(CHEMBL3091984)
Show SMILES COC1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C23H26FNO/c1-26-23-14-17-5-2-3-8-21(17)22(23)12-11-20-10-9-18(15-25-20)16-6-4-7-19(24)13-16/h4,6-7,9-13,15,17,21-23H,2-3,5,8,14H2,1H3/b12-11+/t17-,21-,22+,23?/m0/s1
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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))
BDBM50443594
PNG
(CHEMBL3091985)
Show SMILES CC(=O)OC1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C24H26FNO2/c1-16(27)28-24-14-18-5-2-3-8-22(18)23(24)12-11-21-10-9-19(15-26-21)17-6-4-7-20(25)13-17/h4,6-7,9-13,15,18,22-24H,2-3,5,8,14H2,1H3/b12-11+/t18-,22-,23+,24?/m0/s1
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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
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM624848
PNG
(US20230322706, Example 32)
Show SMILES CCOc1cccnc1Oc1cccc(c1)-c1cncc(Nc2cccc(n2)-c2cccc(CC(C)(C)C(O)=O)c2)n1
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Citation and Details
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443584
PNG
(CHEMBL3091980)
Show SMILES CN(C1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C24H29FN2O2S/c1-27(30(2,28)29)24-15-18-6-3-4-9-22(18)23(24)13-12-21-11-10-19(16-26-21)17-7-5-8-20(25)14-17/h5,7-8,10-14,16,18,22-24H,3-4,6,9,15H2,1-2H3/b13-12+/t18-,22-,23+,24?/m0/s1
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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
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443580
PNG
(CHEMBL3091993)
Show SMILES CC1(C[C@@H]2CCCC[C@@H]2[C@H]1C=Cc1ccc(cn1)-c1cccc(F)c1)OC(N)=O |r,w:11.13|
Show InChI InChI=1S/C24H27FN2O2/c1-24(29-23(26)28)14-17-5-2-3-8-21(17)22(24)12-11-20-10-9-18(15-27-20)16-6-4-7-19(25)13-16/h4,6-7,9-13,15,17,21-22H,2-3,5,8,14H2,1H3,(H2,26,28)/t17-,21-,22+,24?/m0/s1
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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
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443600
PNG
(CHEMBL3091976)
Show SMILES CN(C)C(=S)OC1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C25H29FN2OS/c1-28(2)25(30)29-24-15-18-6-3-4-9-22(18)23(24)13-12-21-11-10-19(16-27-21)17-7-5-8-20(26)14-17/h5,7-8,10-14,16,18,22-24H,3-4,6,9,15H2,1-2H3/b13-12+/t18-,22-,23+,24?/m0/s1
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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
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM624820
PNG
(US20230322706, Example 6)
Show SMILES CCOC(=O)C(F)(F)c1ccc(CC(=O)Nc2cncc(n2)-c2cncc(Oc3ccccc3OCC)c2)cc1
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Citation and Details
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50261110
PNG
(CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...)
Show 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 |r,w:21.23|
Show InChI InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/t17-,20+,23-,24-,25+,26-,27+/m1/s1
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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
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443582
PNG
(CHEMBL3091989)
Show SMILES CS(=O)(=O)NC1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C23H27FN2O2S/c1-29(27,28)26-23-14-17-5-2-3-8-21(17)22(23)12-11-20-10-9-18(15-25-20)16-6-4-7-19(24)13-16/h4,6-7,9-13,15,17,21-23,26H,2-3,5,8,14H2,1H3/b12-11+/t17-,21-,22+,23?/m0/s1
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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
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM624823
PNG
(US20230322706, Example 9)
Show SMILES CCOC(=O)C(F)(F)c1ccc(CC(O)=O)cc1
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Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM624826
PNG
(US20230322706, Example 12)
Show SMILES CCOc1ccccc1Oc1cccc(c1)-c1cncc(NC(=O)CCc2ccc(CC(O)=O)cc2)n1
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Citation and Details
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443581
PNG
(CHEMBL3091991)
Show SMILES CN(C1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1)C(C)=O |r|
Show InChI InChI=1S/C25H29FN2O/c1-17(29)28(2)25-15-19-6-3-4-9-23(19)24(25)13-12-22-11-10-20(16-27-22)18-7-5-8-21(26)14-18/h5,7-8,10-14,16,19,23-25H,3-4,6,9,15H2,1-2H3/b13-12+/t19-,23-,24+,25?/m0/s1
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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))
BDBM50443583
PNG
(CHEMBL3091981)
Show SMILES Fc1cccc(c1)-c1ccc(C=C[C@@H]2[C@H]3CCCC[C@H]3CC22CNC(=O)O2)nc1 |r,w:11.11|
Show InChI InChI=1S/C24H25FN2O2/c25-19-6-3-5-16(12-19)18-8-9-20(26-14-18)10-11-22-21-7-2-1-4-17(21)13-24(22)15-27-23(28)29-24/h3,5-6,8-12,14,17,21-22H,1-2,4,7,13,15H2,(H,27,28)/t17-,21-,22+,24?/m0/s1
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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
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM624844
PNG
(US20230322706, Example 28)
Show SMILES CCOc1cccnc1Oc1cccc(c1)-c1cncc(NC(=O)CCc2ccc(OC(C)(C)C(O)=O)cc2)n1
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Citation and Details
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443602
PNG
(CHEMBL3091973)
Show SMILES OC1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C22H24FNO/c23-18-6-3-5-15(12-18)17-8-9-19(24-14-17)10-11-21-20-7-2-1-4-16(20)13-22(21)25/h3,5-6,8-12,14,16,20-22,25H,1-2,4,7,13H2/b11-10+/t16-,20-,21+,22?/m0/s1
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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))
BDBM50443590
PNG
(CHEMBL3091990)
Show SMILES Fc1cccc(c1)-c1ccc(\C=C\[C@H]2C(C[C@@H]3CCCC[C@H]23)NC(=O)C2CC2)nc1 |r|
Show InChI InChI=1S/C26H29FN2O/c27-21-6-3-5-18(14-21)20-10-11-22(28-16-20)12-13-24-23-7-2-1-4-19(23)15-25(24)29-26(30)17-8-9-17/h3,5-6,10-14,16-17,19,23-25H,1-2,4,7-9,15H2,(H,29,30)/b13-12+/t19-,23-,24+,25?/m0/s1
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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))
BDBM50443592
PNG
(CHEMBL3091987)
Show SMILES NC1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C22H25FN2/c23-18-6-3-5-15(12-18)17-8-9-19(25-14-17)10-11-21-20-7-2-1-4-16(20)13-22(21)24/h3,5-6,8-12,14,16,20-22H,1-2,4,7,13,24H2/b11-10+/t16-,20-,21+,22?/m0/s1
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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
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM624831
PNG
(US20230322706, Example 17)
Show SMILES CCOc1ccccc1Oc1cccc(c1)-c1cncc(NC(=O)\C=C\c2ccc(cc2)C(C)(C)C(O)=O)n1
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n/an/a 240n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM624843
PNG
(US20230322706, Example 27 | US20230322706, Example...)
Show SMILES CCOc1cccnc1Oc1cccc(c1)-c1cncc(NC(=O)Cc2ccc(CC(C)(C)C(O)=O)cc2)n1
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More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443603
PNG
(CHEMBL3091974)
Show SMILES Fc1cccc(c1)-c1ccc(\C=C\[C@H]2C(C[C@@H]3CCCC[C@H]23)OCc2ccccc2)nc1 |r|
Show InChI InChI=1S/C29H30FNO/c30-25-11-6-10-22(17-25)24-13-14-26(31-19-24)15-16-28-27-12-5-4-9-23(27)18-29(28)32-20-21-7-2-1-3-8-21/h1-3,6-8,10-11,13-17,19,23,27-29H,4-5,9,12,18,20H2/b16-15+/t23-,27-,28+,29?/m0/s1
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Article
PubMed
n/an/a 280n/an/an/an/an/an/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
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM624818
PNG
(US20230322706, Example 4)
Show SMILES CCOc1ccccc1Oc1cncc(c1)-c1cncc(NC(=O)CCc2ccc(CC(O)=O)cc2)n1
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM624827
PNG
(US20230322706, Example 13)
Show SMILES CCOc1ccccc1Oc1cccc(c1)-c1cncc(NC(=O)CCc2ccc(OC(C)(C)C(O)=O)cc2)n1
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UniProtKB/SwissProt

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n/an/a 330n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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