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Compile Data Set for Download or QSAR

Found 84 hits Enz. Inhib. hit(s) with all data for entry = 8035   
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))
BDBM230664
PNG
(US9340530, 2)
Show SMILES C[C@H]1OC(=O)C2CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)C12 |r|
Show InChI InChI=1/C23H22F3NO2/c1-13-19(21-14(2)29-22(28)20(21)11-23(13,25)26)9-8-18-7-6-16(12-27-18)15-4-3-5-17(24)10-15/h3-10,12-14,19-21H,11H2,1-2H3/b9-8+/t13-,14+,19-,20?,21?/s2
PDB

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US Patent
3n/an/an/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Thrombin receptor antagonists were screened using a modification of the thrombin receptor radioligand binding assay of Ahn et al. (Ahn et al., Mol. P...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230672
PNG
(US9340530, 10)
Show SMILES C[C@H]1OC(=O)[C@]2(O)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)C12 |r|
Show InChI InChI=1/C23H22F3NO3/c1-13-19(20-14(2)30-21(28)22(20,29)12-23(13,25)26)9-8-18-7-6-16(11-27-18)15-4-3-5-17(24)10-15/h3-11,13-14,19-20,29H,12H2,1-2H3/b9-8+/t13-,14+,19-,20?,22-/s2
PDB

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3n/an/an/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Thrombin receptor antagonists were screened using a modification of the thrombin receptor radioligand binding assay of Ahn et al. (Ahn et al., Mol. P...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230675
PNG
(US9340530, 13)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)C12)C(=O)NCCO |r|
Show InChI InChI=1/C26H27F3N2O4/c1-15-21(9-8-20-7-6-18(13-31-20)17-4-3-5-19(27)12-17)22-16(2)35-24(34)25(22,14-26(15,28)29)23(33)30-10-11-32/h3-9,12-13,15-16,21-22,32H,10-11,14H2,1-2H3,(H,30,33)/b9-8+/t15-,16+,21-,22?,25+/s2
PDB

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3n/an/an/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Thrombin receptor antagonists were screened using a modification of the thrombin receptor radioligand binding assay of Ahn et al. (Ahn et al., Mol. P...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230694
PNG
(US9340530, 28)
Show SMILES C[C@H]1OC(=O)[C@]2(Cc3nnc(C)o3)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3Cl)C12 |r|
Show InChI InChI=1/C27H26ClF2N3O3/c1-15-20(11-10-19-9-8-18(13-31-19)21-6-4-5-7-22(21)28)24-16(2)35-25(34)26(24,14-27(15,29)30)12-23-33-32-17(3)36-23/h4-11,13,15-16,20,24H,12,14H2,1-3H3/b11-10+/t15-,16+,20-,24?,26+/s2
PDB

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n/an/a 0.900n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230682
PNG
(US9340530, 20a | US9340530, 20b)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)C(O)c1cscn1 |r|
Show InChI InChI=1/C28H25F2N3O3S/c1-16-21(10-9-20-8-7-19(12-32-20)22-6-4-3-5-18(22)11-31)24-17(2)36-26(35)27(24,14-28(16,29)30)25(34)23-13-37-15-33-23/h3-10,12-13,15-17,21,24-25,34H,14H2,1-2H3/b10-9+/t16?,17-,21+,24?,25?,27-/s2
PDB

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n/an/a 0.900n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230745
PNG
(US9340530, 29b)
Show SMILES C[C@H]1OC(=O)[C@]2(Cc3nnnn3C)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3Cl)C12 |r|
Show InChI InChI=1/C26H26ClF2N5O2/c1-15-19(11-10-18-9-8-17(13-30-18)20-6-4-5-7-21(20)27)23-16(2)36-24(35)25(23,14-26(15,28)29)12-22-31-32-33-34(22)3/h4-11,13,15-16,19,23H,12,14H2,1-3H3/b11-10+/t15-,16+,19-,23?,25+/s2
PDB

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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230742
PNG
(US9340530, 77)
Show SMILES C[C@H]1OC(=O)[C@]2(CN)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(C)c3C#N)C12 |r|
Show InChI InChI=1/C26H27F2N3O2/c1-15-5-4-6-21(22(15)11-29)18-7-8-19(31-12-18)9-10-20-16(2)26(27,28)13-25(14-30)23(20)17(3)33-24(25)32/h4-10,12,16-17,20,23H,13-14,30H2,1-3H3/b10-9+/t16-,17+,20-,23?,25-/s2
PDB

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n/an/a 1.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230692
PNG
(US9340530, 26)
Show SMILES C[C@H]1OC(=O)[C@]2(Cc3ncon3)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3Cl)C12 |r|
Show InChI InChI=1/C26H24ClF2N3O3/c1-15-19(10-9-18-8-7-17(12-30-18)20-5-3-4-6-21(20)27)23-16(2)35-24(33)25(23,13-26(15,28)29)11-22-31-14-34-32-22/h3-10,12,14-16,19,23H,11,13H2,1-2H3/b10-9+/t15-,16+,19-,23?,25+/s2
PDB

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n/an/a 1.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230688
PNG
(US9340530, 23a | US9340530, 23b)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)C(O)c1ncco1 |r|
Show InChI InChI=1/C28H25F2N3O4/c1-16-21(10-9-20-8-7-19(14-33-20)22-6-4-3-5-18(22)13-31)23-17(2)37-26(35)27(23,15-28(16,29)30)24(34)25-32-11-12-36-25/h3-12,14,16-17,21,23-24,34H,15H2,1-2H3/b10-9+/t16?,17-,21+,23?,24?,27-/s2
PDB

KEGG

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n/an/a 1.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230684
PNG
(US9340530, 21a | US9340530, 21b)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)C(O)c1nccs1 |r|
Show InChI InChI=1/C28H25F2N3O3S/c1-16-21(10-9-20-8-7-19(14-33-20)22-6-4-3-5-18(22)13-31)23-17(2)36-26(35)27(23,15-28(16,29)30)24(34)25-32-11-12-37-25/h3-12,14,16-17,21,23-24,34H,15H2,1-2H3/b10-9+/t16?,17-,21+,23?,24?,27-/s2
PDB

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n/an/a 1.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230682
PNG
(US9340530, 20a | US9340530, 20b)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)C(O)c1cscn1 |r|
Show InChI InChI=1/C28H25F2N3O3S/c1-16-21(10-9-20-8-7-19(12-32-20)22-6-4-3-5-18(22)11-31)24-17(2)36-26(35)27(24,14-28(16,29)30)25(34)23-13-37-15-33-23/h3-10,12-13,15-17,21,24-25,34H,14H2,1-2H3/b10-9+/t16?,17-,21+,24?,25?,27-/s2
PDB

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n/an/a 1.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230708
PNG
(US9340530, 43)
Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NCc1cncs1 |r|
Show InChI InChI=1/C28H26F2N4O2S/c1-17-23(10-9-21-8-7-20(12-33-21)24-6-4-3-5-19(24)11-31)25-18(2)36-26(35)27(25,15-28(17,29)30)34-14-22-13-32-16-37-22/h3-10,12-13,16-18,23,25,34H,14-15H2,1-2H3/b10-9+/t17-,18+,23-,25-,27-/s2
PDB

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n/an/a 1.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230698
PNG
(US9340530, 32)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)n1cc(C)nn1 |r|
Show InChI InChI=1/C27H25F2N5O2/c1-16-14-34(33-32-16)26-15-27(28,29)17(2)22(24(26)18(3)36-25(26)35)11-10-21-9-8-20(13-31-21)23-7-5-4-6-19(23)12-30/h4-11,13-14,17-18,22,24H,15H2,1-3H3/b11-10+/t17?,18-,22+,24?,26+/s2
PDB

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n/an/a 1.40n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230743
PNG
(US9340530, 78)
Show SMILES C[C@H]1NC(=O)C2CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12 |r|
Show InChI InChI=1/C24H23F2N3O/c1-14-19(22-15(2)29-23(30)21(22)11-24(14,25)26)10-9-18-8-7-17(13-28-18)20-6-4-3-5-16(20)12-27/h3-10,13-15,19,21-22H,11H2,1-2H3,(H,29,30)/b10-9+/t14-,15+,19-,21?,22?/s2
PDB

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n/an/a 1.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230709
PNG
(US9340530, 44)
Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NCc1cscn1 |r|
Show InChI InChI=1/C28H26F2N4O2S/c1-17-23(10-9-21-8-7-20(12-32-21)24-6-4-3-5-19(24)11-31)25-18(2)36-26(35)27(25,15-28(17,29)30)34-13-22-14-37-16-33-22/h3-10,12,14,16-18,23,25,34H,13,15H2,1-2H3/b10-9+/t17-,18+,23-,25-,27-/s2
PDB

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n/an/a 1.60n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230660
PNG
(US9340530, 1)
Show SMILES C[C@H]1OC(=O)C2CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12 |r|
Show InChI InChI=1/C24H22F2N2O2/c1-14-19(22-15(2)30-23(29)21(22)11-24(14,25)26)10-9-18-8-7-17(13-28-18)20-6-4-3-5-16(20)12-27/h3-10,13-15,19,21-22H,11H2,1-2H3/b10-9+/t14-,15+,19-,21?,22?/s2
PDB

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n/an/a 1.60n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230727
PNG
(US9340530, 62)
Show SMILES [H][C@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NC(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1/C31H26F3N3O3/c1-18-25(14-13-24-12-9-22(16-36-24)26-6-4-3-5-21(26)15-35)27-19(2)40-29(39)30(27,17-31(18,33)34)37-28(38)20-7-10-23(32)11-8-20/h3-14,16,18-19,25,27H,17H2,1-2H3,(H,37,38)/b14-13+/t18-,19-,25+,27-,30+/s2
PDB

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n/an/a 1.70n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230686
PNG
(US9340530, 22a | US9340530, 22b)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)C(O)c1cocn1 |r|
Show InChI InChI=1/C28H25F2N3O4/c1-16-21(10-9-20-8-7-19(12-32-20)22-6-4-3-5-18(22)11-31)24-17(2)37-26(35)27(24,14-28(16,29)30)25(34)23-13-36-15-33-23/h3-10,12-13,15-17,21,24-25,34H,14H2,1-2H3/b10-9+/t16?,17-,21+,24?,25?,27-/s2
PDB

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n/an/a 1.90n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230670
PNG
(US9340530, 8)
Show SMILES C[C@H]1OC(=O)[C@]2(O)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12 |r|
Show InChI InChI=1/C24H22F2N2O3/c1-14-19(21-15(2)31-22(29)23(21,30)13-24(14,25)26)10-9-18-8-7-17(12-28-18)20-6-4-3-5-16(20)11-27/h3-10,12,14-15,19,21,30H,13H2,1-2H3/b10-9+/t14-,15+,19-,21?,23-/s2
PDB

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n/an/a 2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230695
PNG
(US9340530, 29a)
Show SMILES C[C@H]1OC(=O)[C@]2(Cc3nnn(C)n3)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3Cl)C12 |r|
Show InChI InChI=1/C26H26ClF2N5O2/c1-15-19(11-10-18-9-8-17(13-30-18)20-6-4-5-7-21(20)27)23-16(2)36-24(35)25(23,14-26(15,28)29)12-22-31-33-34(3)32-22/h4-11,13,15-16,19,23H,12,14H2,1-3H3/b11-10+/t15-,16+,19-,23?,25+/s2
PDB

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n/an/a 2.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230686
PNG
(US9340530, 22a | US9340530, 22b)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)C(O)c1cocn1 |r|
Show InChI InChI=1/C28H25F2N3O4/c1-16-21(10-9-20-8-7-19(12-32-20)22-6-4-3-5-18(22)11-31)24-17(2)37-26(35)27(24,14-28(16,29)30)25(34)23-13-36-15-33-23/h3-10,12-13,15-17,21,24-25,34H,14H2,1-2H3/b10-9+/t16?,17-,21+,24?,25?,27-/s2
PDB

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n/an/a 2.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230704
PNG
(US9340530, 39)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)NCc1nccs1 |r|
Show InChI InChI=1/C28H26F2N4O2S/c1-17-22(10-9-21-8-7-20(14-33-21)23-6-4-3-5-19(23)13-31)25-18(2)36-26(35)27(25,16-28(17,29)30)34-15-24-32-11-12-37-24/h3-12,14,17-18,22,25,34H,15-16H2,1-2H3/b10-9+/t17?,18-,22+,25?,27+/s2
PDB

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n/an/a 2.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230728
PNG
(US9340530, 63)
Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NC(=O)c1ccccc1 |r|
Show InChI InChI=1/C31H27F2N3O3/c1-19-25(15-14-24-13-12-23(17-35-24)26-11-7-6-10-22(26)16-34)27-20(2)39-29(38)30(27,18-31(19,32)33)36-28(37)21-8-4-3-5-9-21/h3-15,17,19-20,25,27H,18H2,1-2H3,(H,36,37)/b15-14+/t19-,20+,25-,27-,30-/s2
PDB

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n/an/a 2.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230741
PNG
(US9340530, 76)
Show SMILES C[C@H]1OC(=O)[C@]2(CN)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12 |r|
Show InChI InChI=1/C25H25F2N3O2/c1-15-20(22-16(2)32-23(31)24(22,14-29)13-25(15,26)27)10-9-19-8-7-18(12-30-19)21-6-4-3-5-17(21)11-28/h3-10,12,15-16,20,22H,13-14,29H2,1-2H3/b10-9+/t15-,16+,20-,22?,24-/s2
PDB

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n/an/a 2.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230707
PNG
(US9340530, 42)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)NCc1cocn1 |r|
Show InChI InChI=1/C28H26F2N4O3/c1-17-23(10-9-21-8-7-20(12-32-21)24-6-4-3-5-19(24)11-31)25-18(2)37-26(35)27(25,15-28(17,29)30)34-13-22-14-36-16-33-22/h3-10,12,14,16-18,23,25,34H,13,15H2,1-2H3/b10-9+/t17?,18-,23+,25?,27+/s2
PDB

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n/an/a 2.40n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230737
PNG
(US9340530, 72)
Show SMILES CO[C@@]12CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@@H]1[C@@H](C)OC2=O |r|
Show InChI InChI=1/C25H24F2N2O3/c1-15-20(22-16(2)32-23(30)24(22,31-3)14-25(15,26)27)11-10-19-9-8-18(13-29-19)21-7-5-4-6-17(21)12-28/h4-11,13,15-16,20,22H,14H2,1-3H3/b11-10+/t15-,16+,20-,22-,24-/s2
PDB

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n/an/a 2.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230684
PNG
(US9340530, 21a | US9340530, 21b)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)C(O)c1nccs1 |r|
Show InChI InChI=1/C28H25F2N3O3S/c1-16-21(10-9-20-8-7-19(14-33-20)22-6-4-3-5-18(22)13-31)23-17(2)36-26(35)27(23,15-28(16,29)30)24(34)25-32-11-12-37-25/h3-12,14,16-17,21,23-24,34H,15H2,1-2H3/b10-9+/t16?,17-,21+,23?,24?,27-/s2
PDB

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n/an/a 2.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230715
PNG
(US9340530, 50)
Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NCC1CC1 |r|
Show InChI InChI=1/C28H29F2N3O2/c1-17-23(12-11-22-10-9-21(15-32-22)24-6-4-3-5-20(24)13-31)25-18(2)35-26(34)27(25,16-28(17,29)30)33-14-19-7-8-19/h3-6,9-12,15,17-19,23,25,33H,7-8,14,16H2,1-2H3/b12-11+/t17-,18+,23-,25-,27-/s2
PDB

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n/an/a 2.70n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230730
PNG
(US9340530, 65)
Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NC(=O)c1cccc(c1)C#N |r|
Show InChI InChI=1/C32H26F2N4O3/c1-19-26(13-12-25-11-10-24(17-37-25)27-9-4-3-7-23(27)16-36)28-20(2)41-30(40)31(28,18-32(19,33)34)38-29(39)22-8-5-6-21(14-22)15-35/h3-14,17,19-20,26,28H,18H2,1-2H3,(H,38,39)/b13-12+/t19-,20+,26-,28-,31-/s2
PDB

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n/an/a 2.70n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230666
PNG
(US9340530, 4)
Show SMILES C[C@H]1OC(=O)C2CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3Cl)C12 |r|
Show InChI InChI=1/C23H22ClF2NO2/c1-13-17(21-14(2)29-22(28)19(21)11-23(13,25)26)10-9-16-8-7-15(12-27-16)18-5-3-4-6-20(18)24/h3-10,12-14,17,19,21H,11H2,1-2H3/b10-9+/t13-,14+,17-,19?,21?/s2
PDB

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n/an/a 2.70n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230677
PNG
(US9340530, 15)
Show SMILES C[C@H]1OC(=O)[C@]2(CO)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12 |r|
Show InChI InChI=1/C25H24F2N2O3/c1-15-20(22-16(2)32-23(31)24(22,14-30)13-25(15,26)27)10-9-19-8-7-18(12-29-19)21-6-4-3-5-17(21)11-28/h3-10,12,15-16,20,22,30H,13-14H2,1-2H3/b10-9+/t15-,16+,20-,22?,24-/s2
PDB

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n/an/a 2.70n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230722
PNG
(US9340530, 57)
Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NC(=O)c1nccs1 |r|
Show InChI InChI=1/C28H24F2N4O3S/c1-16-21(10-9-20-8-7-19(14-33-20)22-6-4-3-5-18(22)13-31)23-17(2)37-26(36)27(23,15-28(16,29)30)34-24(35)25-32-11-12-38-25/h3-12,14,16-17,21,23H,15H2,1-2H3,(H,34,35)/b10-9+/t16-,17+,21-,23-,27-/s2
PDB

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n/an/a 2.80n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230729
PNG
(US9340530, 64)
Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NC(=O)c1ccc(cc1)C#N |r|
Show InChI InChI=1/C32H26F2N4O3/c1-19-26(14-13-25-12-11-24(17-37-25)27-6-4-3-5-23(27)16-36)28-20(2)41-30(40)31(28,18-32(19,33)34)38-29(39)22-9-7-21(15-35)8-10-22/h3-14,17,19-20,26,28H,18H2,1-2H3,(H,38,39)/b14-13+/t19-,20+,26-,28-,31-/s2
PDB

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n/an/a 2.90n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230723
PNG
(US9340530, 58)
Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NC(=O)c1cccc(F)c1 |r|
Show InChI InChI=1/C31H26F3N3O3/c1-18-25(13-12-24-11-10-22(16-36-24)26-9-4-3-6-21(26)15-35)27-19(2)40-29(39)30(27,17-31(18,33)34)37-28(38)20-7-5-8-23(32)14-20/h3-14,16,18-19,25,27H,17H2,1-2H3,(H,37,38)/b13-12+/t18-,19+,25-,27-,30-/s2
PDB

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n/an/a 3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230681
PNG
(US9340530, 19)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)C(O)c1ccccn1 |r|
Show InChI InChI=1/C30H27F2N3O3/c1-18-23(13-12-22-11-10-21(16-35-22)24-8-4-3-7-20(24)15-33)26-19(2)38-28(37)29(26,17-30(18,31)32)27(36)25-9-5-6-14-34-25/h3-14,16,18-19,23,26-27,36H,17H2,1-2H3/b13-12+/t18?,19-,23+,26?,27?,29-/s2
PDB

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n/an/a 3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230713
PNG
(US9340530, 48)
Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NCc1nccn1C |r|
Show InChI InChI=1/C29H29F2N5O2/c1-18-23(11-10-22-9-8-21(15-34-22)24-7-5-4-6-20(24)14-32)26-19(2)38-27(37)28(26,17-29(18,30)31)35-16-25-33-12-13-36(25)3/h4-13,15,18-19,23,26,35H,16-17H2,1-3H3/b11-10+/t18-,19+,23-,26-,28-/s2
PDB

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n/an/a 3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230724
PNG
(US9340530, 59)
Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NC(=O)c1ccc(Cl)nc1 |r|
Show InChI InChI=1/C30H25ClF2N4O3/c1-17-23(11-10-22-9-7-20(14-35-22)24-6-4-3-5-19(24)13-34)26-18(2)40-28(39)29(26,16-30(17,32)33)37-27(38)21-8-12-25(31)36-15-21/h3-12,14-15,17-18,23,26H,16H2,1-2H3,(H,37,38)/b11-10+/t17-,18+,23-,26-,29-/s2
PDB

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n/an/a 3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230711
PNG
(US9340530, 46)
Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NCc1ccccn1 |r|
Show InChI InChI=1/C30H28F2N4O2/c1-19-25(13-12-23-11-10-22(16-35-23)26-9-4-3-7-21(26)15-33)27-20(2)38-28(37)29(27,18-30(19,31)32)36-17-24-8-5-6-14-34-24/h3-14,16,19-20,25,27,36H,17-18H2,1-2H3/b13-12+/t19-,20+,25-,27-,29-/s2
PDB

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n/an/a 3.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230696
PNG
(US9340530, 30 | US9340530, 31)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)n1cnnn1 |r|
Show InChI InChI=1/C25H22F2N6O2/c1-15-20(10-9-19-8-7-18(12-29-19)21-6-4-3-5-17(21)11-28)22-16(2)35-23(34)24(22,13-25(15,26)27)33-14-30-31-32-33/h3-10,12,14-16,20,22H,13H2,1-2H3/b10-9+/t15-,16+,20-,22?,24-/s2
PDB

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n/an/a 3.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230688
PNG
(US9340530, 23a | US9340530, 23b)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)C(O)c1ncco1 |r|
Show InChI InChI=1/C28H25F2N3O4/c1-16-21(10-9-20-8-7-19(14-33-20)22-6-4-3-5-18(22)13-31)23-17(2)37-26(35)27(23,15-28(16,29)30)24(34)25-32-11-12-36-25/h3-12,14,16-17,21,23-24,34H,15H2,1-2H3/b10-9+/t16?,17-,21+,23?,24?,27-/s2
PDB

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n/an/a 3.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230738
PNG
(US9340530, 73)
Show SMILES C[C@H]1OC(=O)[C@]2(N)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(C)c3C#N)C12 |r|
Show InChI InChI=1/C25H25F2N3O2/c1-14-5-4-6-20(21(14)11-28)17-7-8-18(30-12-17)9-10-19-15(2)25(26,27)13-24(29)22(19)16(3)32-23(24)31/h4-10,12,15-16,19,22H,13,29H2,1-3H3/b10-9+/t15-,16+,19-,22?,24-/s2
PDB

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n/an/a 3.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230691
PNG
(US9340530, 25)
Show SMILES C[C@H]1OC(=O)[C@]2(CC#N)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3Cl)C12 |r|
Show InChI InChI=1/C25H23ClF2N2O2/c1-15-19(22-16(2)32-23(31)24(22,11-12-29)14-25(15,27)28)10-9-18-8-7-17(13-30-18)20-5-3-4-6-21(20)26/h3-10,13,15-16,19,22H,11,14H2,1-2H3/b10-9+/t15-,16+,19-,22?,24+/s2
PDB

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n/an/a 3.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230680
PNG
(US9340530, 18)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)C(=O)NC1CCC1 |r|
Show InChI InChI=1/C29H29F2N3O3/c1-17-23(13-12-21-11-10-20(15-33-21)24-9-4-3-6-19(24)14-32)25-18(2)37-27(36)28(25,16-29(17,30)31)26(35)34-22-7-5-8-22/h3-4,6,9-13,15,17-18,22-23,25H,5,7-8,16H2,1-2H3,(H,34,35)/b13-12+/t17?,18-,23+,25?,28-/s2
PDB

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n/an/a 3.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230673
PNG
(US9340530, 11)
Show SMILES COC(=O)[C@@]12CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)C1[C@@H](C)OC2=O |r|
Show InChI InChI=1/C25H24F3NO4/c1-14-20(10-9-19-8-7-17(12-29-19)16-5-4-6-18(26)11-16)21-15(2)33-23(31)24(21,22(30)32-3)13-25(14,27)28/h4-12,14-15,20-21H,13H2,1-3H3/b10-9+/t14-,15+,20-,21?,24+/s2
PDB

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n/an/a 3.40n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230725
PNG
(US9340530, 60)
Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NC(=O)c1cc(C)on1 |r|
Show InChI InChI=1/C29H26F2N4O4/c1-16-12-24(35-39-16)26(36)34-28-15-29(30,31)17(2)22(25(28)18(3)38-27(28)37)11-10-21-9-8-20(14-33-21)23-7-5-4-6-19(23)13-32/h4-12,14,17-18,22,25H,15H2,1-3H3,(H,34,36)/b11-10+/t17-,18+,22-,25-,28-/s2
PDB

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n/an/a 3.40n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230731
PNG
(US9340530, 66)
Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NC(=O)C1CC1 |r|
Show InChI InChI=1/C28H27F2N3O3/c1-16-22(12-11-21-10-9-20(14-32-21)23-6-4-3-5-19(23)13-31)24-17(2)36-26(35)27(24,15-28(16,29)30)33-25(34)18-7-8-18/h3-6,9-12,14,16-18,22,24H,7-8,15H2,1-2H3,(H,33,34)/b12-11+/t16-,17+,22-,24-,27-/s2
PDB

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n/an/a 3.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230732
PNG
(US9340530, 67)
Show SMILES C[C@H]1OC(=O)[C@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)NC(=O)c1ccn(C)n1 |r|
Show InChI InChI=1/C29H27F2N5O3/c1-17-22(11-10-21-9-8-20(15-33-21)23-7-5-4-6-19(23)14-32)25-18(2)39-27(38)28(25,16-29(17,30)31)34-26(37)24-12-13-36(3)35-24/h4-13,15,17-18,22,25H,16H2,1-3H3,(H,34,37)/b11-10+/t17?,18-,22+,25?,28-/s2
PDB

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n/an/a 3.70n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230705
PNG
(US9340530, 40)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)NCc1ccncc1 |r|
Show InChI InChI=1/C30H28F2N4O2/c1-19-25(10-9-24-8-7-23(17-35-24)26-6-4-3-5-22(26)15-33)27-20(2)38-28(37)29(27,18-30(19,31)32)36-16-21-11-13-34-14-12-21/h3-14,17,19-20,25,27,36H,16,18H2,1-2H3/b10-9+/t19?,20-,25+,27?,29+/s2
PDB

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n/an/a 3.90n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230702
PNG
(US9340530, 36)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)NC1CCC1 |r|
Show InChI InChI=1/C28H29F2N3O2/c1-17-23(13-12-21-11-10-20(15-32-21)24-9-4-3-6-19(24)14-31)25-18(2)35-26(34)27(25,16-28(17,29)30)33-22-7-5-8-22/h3-4,6,9-13,15,17-18,22-23,25,33H,5,7-8,16H2,1-2H3/b13-12+/t17-,18+,23-,25?,27-/s2
PDB

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n/an/a 4.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230701
PNG
(US9340530, 35)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)NO |r|
Show InChI InChI=1/C24H23F2N3O3/c1-14-19(21-15(2)32-22(30)23(21,29-31)13-24(14,25)26)10-9-18-8-7-17(12-28-18)20-6-4-3-5-16(20)11-27/h3-10,12,14-15,19,21,29,31H,13H2,1-2H3/b10-9+/t14-,15+,19-,21?,23-/s2
PDB

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n/an/a 4.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
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