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Compile Data Set for Download or QSAR

Found 2842 hits with Last Name = 'ban' and Initial = 'h'   
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
Apelin


(Homo sapiens (Human))
BDBM50009575
PNG
(CHEMBL3234446)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C96H156N34O20S/c1-55(2)47-67(83(140)127-71(53-131)86(143)125-69(50-58-51-109-54-115-58)85(142)116-60(26-11-13-38-98)78(135)114-52-76(133)128-43-18-31-72(128)87(144)122-66(36-46-151-3)91(148)130-45-20-33-74(130)89(146)126-70(92(149)150)49-57-23-8-5-9-24-57)124-81(138)63(29-16-41-112-95(105)106)120-88(145)73-32-19-44-129(73)90(147)65(30-17-42-113-96(107)108)121-82(139)64(34-35-75(100)132)119-80(137)61(27-14-39-110-93(101)102)117-79(136)62(28-15-40-111-94(103)104)118-84(141)68(48-56-21-6-4-7-22-56)123-77(134)59(99)25-10-12-37-97/h4-9,21-24,51,54-55,59-74,131H,10-20,25-50,52-53,97-99H2,1-3H3,(H2,100,132)(H,109,115)(H,114,135)(H,116,142)(H,117,136)(H,118,141)(H,119,137)(H,120,145)(H,121,139)(H,122,144)(H,123,134)(H,124,138)(H,125,143)(H,126,146)(H,127,140)(H,149,150)(H4,101,102,110)(H4,103,104,111)(H4,105,106,112)(H4,107,108,113)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-/m0/s1
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PubMed
0.0400n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I]-pE13F from human apelin receptor expressed in CHO cell membranes after 1 hr by gamma counting analysis


J Med Chem 57: 2908-19 (2014)


Article DOI: 10.1021/jm401789v
BindingDB Entry DOI: 10.7270/Q21J9C9F
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM252994
PNG
(US9469608, 23-4b)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1NCc2ccccc12 |r|
Show InChI InChI=1S/C22H25ClN4O2/c23-17-8-7-14(11-24)16(10-17)13-26-21(28)19-6-3-9-27(19)22(29)20-18-5-2-1-4-15(18)12-25-20/h1-2,4-5,7-8,10,19-20,25H,3,6,9,11-13,24H2,(H,26,28)/t19-,20-/m0/s1
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1.10n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...


US Patent US9469608 (2016)


BindingDB Entry DOI: 10.7270/Q2F18XNQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284388
PNG
(2-{[Acetyl-(1-hexadecylcarbamoyloxymethyl-cyclopen...)
Show SMILES CCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCC1
Show InChI InChI=1S/C35H59N3O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-26-36-33(40)42-29-35(24-19-20-25-35)30-43-34(41)38(31(3)39)28-32-23-18-22-27-37(32)5-2/h18,22-23,27H,4-17,19-21,24-26,28-30H2,1-3H3/p+1
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1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM253006
PNG
(US9469608, 34-7)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCN1C(=O)C1NCc2ccccc12 |r|
Show InChI InChI=1S/C21H23ClN4O2/c22-16-6-5-13(10-23)15(9-16)12-25-20(27)18-7-8-26(18)21(28)19-17-4-2-1-3-14(17)11-24-19/h1-6,9,18-19,24H,7-8,10-12,23H2,(H,25,27)/t18-,19?/m0/s1
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2.5n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...


US Patent US9469608 (2016)


BindingDB Entry DOI: 10.7270/Q2F18XNQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM253008
PNG
(US9469608, 36-3)
Show SMILES OC1(CCc2cccnc12)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1-n1cnnn1 |r|
Show InChI InChI=1S/C22H22ClN7O3/c23-16-5-6-17(30-13-26-27-28-30)15(11-16)12-25-20(31)18-4-2-10-29(18)21(32)22(33)8-7-14-3-1-9-24-19(14)22/h1,3,5-6,9,11,13,18,33H,2,4,7-8,10,12H2,(H,25,31)/t18-,22?/m0/s1
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2.5n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...


US Patent US9469608 (2016)


BindingDB Entry DOI: 10.7270/Q2F18XNQ
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=1S/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-/m0/s1
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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))
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=1S/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?/m0/s1
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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=1S/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+/m0/s1
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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
Prothrombin


(Homo sapiens (Human))
BDBM253013
PNG
(US9469608, 39-10b)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)C1CCCN1C(=O)[C@@H]1NS(=O)(=O)c2ccccc12 |r|
Show InChI InChI=1S/C21H23ClN4O4S/c22-15-8-7-13(11-23)14(10-15)12-24-20(27)17-5-3-9-26(17)21(28)19-16-4-1-2-6-18(16)31(29,30)25-19/h1-2,4,6-8,10,17,19,25H,3,5,9,11-12,23H2,(H,24,27)/t17?,19-/m1/s1
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3.40n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...


US Patent US9469608 (2016)


BindingDB Entry DOI: 10.7270/Q2F18XNQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM252985
PNG
(US9469608, 13-10)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(c[nH]1)-c1ccncc1 |r|
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3.40n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...


US Patent US9469608 (2016)


BindingDB Entry DOI: 10.7270/Q2F18XNQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM253012
PNG
(US9469608, 39-10a)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)C1CCCN1C(=O)[C@H]1NS(=O)(=O)c2ccccc12 |r|
Show InChI InChI=1S/C21H23ClN4O4S/c22-15-8-7-13(11-23)14(10-15)12-24-20(27)17-5-3-9-26(17)21(28)19-16-4-1-2-6-18(16)31(29,30)25-19/h1-2,4,6-8,10,17,19,25H,3,5,9,11-12,23H2,(H,24,27)/t17?,19-/m0/s1
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3.40n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...


US Patent US9469608 (2016)


BindingDB Entry DOI: 10.7270/Q2F18XNQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM253004
PNG
(US9469608, 32-7)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)CCCc2cccnc12 |r|
Show InChI InChI=1S/C23H27ClN4O3/c24-18-8-7-16(13-25)17(12-18)14-27-21(29)19-6-3-11-28(19)22(30)23(31)9-1-4-15-5-2-10-26-20(15)23/h2,5,7-8,10,12,19,31H,1,3-4,6,9,11,13-14,25H2,(H,27,29)/t19-,23?/m0/s1
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3.90n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...


US Patent US9469608 (2016)


BindingDB Entry DOI: 10.7270/Q2F18XNQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284401
PNG
(2-{[Acetyl-(1-octadecylcarbamoyloxymethyl-cyclopen...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCC1
Show InChI InChI=1S/C37H63N3O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-38-35(42)44-31-37(26-21-22-27-37)32-45-36(43)40(33(3)41)30-34-25-20-24-29-39(34)5-2/h20,24-25,29H,4-19,21-23,26-28,30-32H2,1-3H3/p+1
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4.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284419
PNG
(2-{[Acetyl-((2R,4R)-4-octadecylcarbamoyloxymethyl-...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1
Show InChI InChI=1S/C35H59N3O5S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-36-34(40)42-28-32-26-33(44-32)29-43-35(41)38(30(3)39)27-31-23-20-22-25-37(31)5-2/h20,22-23,25,32-33H,4-19,21,24,26-29H2,1-3H3/p+1/t32-,33-/m1/s1
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4.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-PAF from PAF receptor in rabbit platelet membranes


Bioorg Med Chem Lett 5: 1097-1102 (1995)


Article DOI: 10.1016/0960-894X(95)00174-R
BindingDB Entry DOI: 10.7270/Q2NZ87KQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284416
PNG
(2-{[Acetyl-(3-octadecylcarbamoyloxymethyl-cyclobut...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 |wU:23.22,wD:25.25,(-6.84,-45.17,;-6.14,-43.8,;-4.61,-43.71,;-3.91,-42.33,;-2.38,-42.25,;-1.69,-40.87,;-.16,-40.79,;.54,-39.42,;2.07,-39.33,;2.77,-37.95,;4.29,-37.87,;4.99,-36.49,;6.53,-36.41,;7.21,-35.04,;8.76,-34.95,;9.44,-33.57,;10.98,-33.49,;11.68,-32.11,;13.22,-32.03,;13.91,-30.66,;13.05,-29.38,;15.45,-30.57,;16.28,-31.86,;17.82,-31.78,;18.83,-30.62,;20,-31.66,;21.53,-31.57,;22.23,-30.2,;23.76,-30.11,;24.6,-31.4,;24.45,-28.75,;25.98,-28.66,;26.82,-29.94,;26.12,-31.31,;26.96,-32.59,;28.5,-32.52,;29.2,-31.15,;28.36,-29.85,;29.05,-28.48,;30.59,-28.4,;23.61,-27.45,;22.07,-27.54,;24.31,-26.08,;18.97,-32.8,)|
Show InChI InChI=1S/C36H61N3O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-37-35(41)43-29-32-26-33(27-32)30-44-36(42)39(31(3)40)28-34-23-20-22-25-38(34)5-2/h20,22-23,25,32-33H,4-19,21,24,26-30H2,1-3H3/p+1/t32-,33-
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4.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-PAF from PAF receptor in rabbit platelet membranes


Bioorg Med Chem Lett 5: 1097-1102 (1995)


Article DOI: 10.1016/0960-894X(95)00174-R
BindingDB Entry DOI: 10.7270/Q2NZ87KQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM253003
PNG
(US9469608, 31-7)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)CCCc2cnccc12 |r|
Show InChI InChI=1S/C23H27ClN4O3/c24-18-6-5-15(12-25)17(11-18)14-27-21(29)20-4-2-10-28(20)22(30)23(31)8-1-3-16-13-26-9-7-19(16)23/h5-7,9,11,13,20,31H,1-4,8,10,12,14,25H2,(H,27,29)/t20-,23?/m0/s1
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4.80n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...


US Patent US9469608 (2016)


BindingDB Entry DOI: 10.7270/Q2F18XNQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284417
PNG
(2-{[Acetyl-((2R,4R)-4-octadecylcarbamoyloxymethyl-...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1
Show InChI InChI=1S/C35H59N3O6/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-36-34(40)42-28-32-26-33(44-32)29-43-35(41)38(30(3)39)27-31-23-20-22-25-37(31)5-2/h20,22-23,25,32-33H,4-19,21,24,26-29H2,1-3H3/p+1/t32-,33-/m1/s1
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5.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-PAF from PAF receptor in rabbit platelet membranes


Bioorg Med Chem Lett 5: 1097-1102 (1995)


Article DOI: 10.1016/0960-894X(95)00174-R
BindingDB Entry DOI: 10.7270/Q2NZ87KQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284395
PNG
(2-{[Acetyl-(1-octadecylcarbamoyloxymethyl-cyclobut...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCC1
Show InChI InChI=1S/C36H61N3O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-27-37-34(41)43-30-36(25-23-26-36)31-44-35(42)39(32(3)40)29-33-24-20-22-28-38(33)5-2/h20,22,24,28H,4-19,21,23,25-27,29-31H2,1-3H3/p+1
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6.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50005232
PNG
((R)-2-{[Acetyl-(2-methoxy-3-octadecylcarbamoyloxy-...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(Cc1cccc[n+]1CC)C(C)=O)OC
Show InChI InChI=1S/C34H59N3O6/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-35-33(39)42-28-32(41-4)29-43-34(40)37(30(3)38)27-31-24-21-23-26-36(31)6-2/h21,23-24,26,32H,5-20,22,25,27-29H2,1-4H3/p+1
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7.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50005232
PNG
((R)-2-{[Acetyl-(2-methoxy-3-octadecylcarbamoyloxy-...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(Cc1cccc[n+]1CC)C(C)=O)OC
Show InChI InChI=1S/C34H59N3O6/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-35-33(39)42-28-32(41-4)29-43-34(40)37(30(3)38)27-31-24-21-23-26-36(31)6-2/h21,23-24,26,32H,5-20,22,25,27-29H2,1-4H3/p+1
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7.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-PAF from PAF receptor in rabbit platelet membranes


Bioorg Med Chem Lett 5: 1097-1102 (1995)


Article DOI: 10.1016/0960-894X(95)00174-R
BindingDB Entry DOI: 10.7270/Q2NZ87KQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM252990
PNG
(US9469608, 20-8)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)CCc2cccnc12 |r|
Show InChI InChI=1S/C22H25ClN4O3/c23-17-6-5-15(12-24)16(11-17)13-26-20(28)18-4-2-10-27(18)21(29)22(30)8-7-14-3-1-9-25-19(14)22/h1,3,5-6,9,11,18,30H,2,4,7-8,10,12-13,24H2,(H,26,28)/t18-,22?/m0/s1
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7.70n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...


US Patent US9469608 (2016)


BindingDB Entry DOI: 10.7270/Q2F18XNQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM252995
PNG
(US9469608, 24-8)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1COc2ccccc12 |r|
Show InChI InChI=1S/C22H24ClN3O3/c23-16-8-7-14(11-24)15(10-16)12-25-21(27)19-5-3-9-26(19)22(28)18-13-29-20-6-2-1-4-17(18)20/h1-2,4,6-8,10,18-19H,3,5,9,11-13,24H2,(H,25,27)/t18?,19-/m0/s1
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9.20n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...


US Patent US9469608 (2016)


BindingDB Entry DOI: 10.7270/Q2F18XNQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284414
PNG
(2-{[Acetyl-((2S,4R)-4-octadecylcarbamoyloxymethyl-...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1
Show InChI InChI=1S/C35H59N3O6/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-36-34(40)42-28-32-26-33(44-32)29-43-35(41)38(30(3)39)27-31-23-20-22-25-37(31)5-2/h20,22-23,25,32-33H,4-19,21,24,26-29H2,1-3H3/p+1/t32-,33+/m1/s1
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9.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-PAF from PAF receptor in rabbit platelet membranes


Bioorg Med Chem Lett 5: 1097-1102 (1995)


Article DOI: 10.1016/0960-894X(95)00174-R
BindingDB Entry DOI: 10.7270/Q2NZ87KQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284399
PNG
(1-[4-(1-Octadecylcarbamoyloxymethyl-cyclopentylmet...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCC[n+]2cccc3ccccc23)CCCC1
Show InChI InChI=1S/C40H64N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-31-41-39(44)46-35-40(29-20-21-30-40)34-45-38(43)28-19-23-32-42-33-24-26-36-25-17-18-27-37(36)42/h17-18,24-27,33H,2-16,19-23,28-32,34-35H2,1H3/p+1
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9.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM252984
PNG
(US9469608, 11-2)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(c[nH]1)C(O)c1ccccn1 |r|
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9.70n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...


US Patent US9469608 (2016)


BindingDB Entry DOI: 10.7270/Q2F18XNQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284412
PNG
(2-{[Acetyl-((2S,4S)-4-hexadecylcarbamoyloxymethyl-...)
Show SMILES CCCCCCCCCCCCCCCCNC(=O)OC[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1
Show InChI InChI=1S/C33H55N3O5S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-22-34-32(38)40-26-30-24-31(42-30)27-41-33(39)36(28(3)37)25-29-21-18-20-23-35(29)5-2/h18,20-21,23,30-31H,4-17,19,22,24-27H2,1-3H3/p+1/t30-,31-/m0/s1
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9.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-PAF from PAF receptor in rabbit platelet membranes


Bioorg Med Chem Lett 5: 1097-1102 (1995)


Article DOI: 10.1016/0960-894X(95)00174-R
BindingDB Entry DOI: 10.7270/Q2NZ87KQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284420
PNG
(2-{[Acetyl-((2S,4R)-4-octadecylcarbamoyloxymethyl-...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1
Show InChI InChI=1S/C35H59N3O5S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-36-34(40)42-28-32-26-33(44-32)29-43-35(41)38(30(3)39)27-31-23-20-22-25-37(31)5-2/h20,22-23,25,32-33H,4-19,21,24,26-29H2,1-3H3/p+1/t32-,33+/m1/s1
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9.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-PAF from PAF receptor in rabbit platelet membranes


Bioorg Med Chem Lett 5: 1097-1102 (1995)


Article DOI: 10.1016/0960-894X(95)00174-R
BindingDB Entry DOI: 10.7270/Q2NZ87KQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM253002
PNG
(US9469608, 30-6)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)CCCc2ncccc12 |r|
Show InChI InChI=1S/C23H27ClN4O3/c24-17-8-7-15(13-25)16(12-17)14-27-21(29)20-6-3-11-28(20)22(30)23(31)9-1-5-19-18(23)4-2-10-26-19/h2,4,7-8,10,12,20,31H,1,3,5-6,9,11,13-14,25H2,(H,27,29)/t20-,23?/m0/s1
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11n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...


US Patent US9469608 (2016)


BindingDB Entry DOI: 10.7270/Q2F18XNQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284409
PNG
(2-{[Acetyl-(2,2-dimethyl-3-octadecylcarbamoyloxy-p...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OCC(C)(C)COC(=O)N(Cc1cccc[n+]1CC)C(C)=O
Show InChI InChI=1S/C35H61N3O5/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26-36-33(40)42-29-35(4,5)30-43-34(41)38(31(3)39)28-32-25-22-24-27-37(32)7-2/h22,24-25,27H,6-21,23,26,28-30H2,1-5H3/p+1
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13n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM252982
PNG
(US9469608, 9-2)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(c[nH]1)C(O)c1cccnc1 |r|
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13n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...


US Patent US9469608 (2016)


BindingDB Entry DOI: 10.7270/Q2F18XNQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284414
PNG
(2-{[Acetyl-((2S,4R)-4-octadecylcarbamoyloxymethyl-...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1
Show InChI InChI=1S/C35H59N3O6/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-36-34(40)42-28-32-26-33(44-32)29-43-35(41)38(30(3)39)27-31-23-20-22-25-37(31)5-2/h20,22-23,25,32-33H,4-19,21,24,26-29H2,1-3H3/p+1/t32-,33+/m1/s1
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-PAF from PAF receptor in rabbit platelet membranes


Bioorg Med Chem Lett 5: 1097-1102 (1995)


Article DOI: 10.1016/0960-894X(95)00174-R
BindingDB Entry DOI: 10.7270/Q2NZ87KQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM252991
PNG
(US9469608, 21-6)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1OCc2ccccc12 |r|
Show InChI InChI=1S/C22H24ClN3O3/c23-17-8-7-14(11-24)16(10-17)12-25-21(27)19-6-3-9-26(19)22(28)20-18-5-2-1-4-15(18)13-29-20/h1-2,4-5,7-8,10,19-20H,3,6,9,11-13,24H2,(H,25,27)/t19-,20?/m0/s1
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15n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...


US Patent US9469608 (2016)


BindingDB Entry DOI: 10.7270/Q2F18XNQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284422
PNG
(2-{[Acetyl-((2S,4S)-4-hexadecyloxymethyl-oxetan-2-...)
Show SMILES CCCCCCCCCCCCCCCCOC[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1
Show InChI InChI=1S/C32H55N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-23-37-26-30-24-31(39-30)27-38-32(36)34(28(3)35)25-29-21-18-19-22-33(29)5-2/h18-19,21-22,30-31H,4-17,20,23-27H2,1-3H3/q+1/t30-,31-/m0/s1
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-PAF from PAF receptor in rabbit platelet membranes


Bioorg Med Chem Lett 5: 1097-1102 (1995)


Article DOI: 10.1016/0960-894X(95)00174-R
BindingDB Entry DOI: 10.7270/Q2NZ87KQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM252999
PNG
(US9469608, 28-6)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)CCc2ccncc12 |r|
Show InChI InChI=1S/C22H25ClN4O3/c23-17-4-3-15(11-24)16(10-17)12-26-20(28)19-2-1-9-27(19)21(29)22(30)7-5-14-6-8-25-13-18(14)22/h3-4,6,8,10,13,19,30H,1-2,5,7,9,11-12,24H2,(H,26,28)/t19-,22?/m0/s1
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16n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...


US Patent US9469608 (2016)


BindingDB Entry DOI: 10.7270/Q2F18XNQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM252980
PNG
(US9469608, 7-1)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cc2ccncc2)c[nH]1 |r|
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17n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...


US Patent US9469608 (2016)


BindingDB Entry DOI: 10.7270/Q2F18XNQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM252983
PNG
(US9469608, 10-7)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(c[nH]1)C(=O)c1ccccn1 |r|
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17n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...


US Patent US9469608 (2016)


BindingDB Entry DOI: 10.7270/Q2F18XNQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM252981
PNG
(US9469608, 8-8)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(c[nH]1)C(=O)c1cccnc1 |r|
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18n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...


US Patent US9469608 (2016)


BindingDB Entry DOI: 10.7270/Q2F18XNQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284423
PNG
(2-{[Acetyl-((2R,4R)-4-hexadecyloxymethyl-thietan-2...)
Show SMILES CCCCCCCCCCCCCCCCOC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1
Show InChI InChI=1S/C32H55N2O4S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-23-37-26-30-24-31(39-30)27-38-32(36)34(28(3)35)25-29-21-18-19-22-33(29)5-2/h18-19,21-22,30-31H,4-17,20,23-27H2,1-3H3/q+1/t30-,31-/m1/s1
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20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-PAF from PAF receptor in rabbit platelet membranes


Bioorg Med Chem Lett 5: 1097-1102 (1995)


Article DOI: 10.1016/0960-894X(95)00174-R
BindingDB Entry DOI: 10.7270/Q2NZ87KQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284386
PNG
(1-[5-(3-Octadecylcarbamoyloxymethyl-thietan-3-ylme...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccccc2)CSC1
Show InChI InChI=1S/C35H60N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-36-34(39)41-30-35(31-42-32-35)29-40-33(38)24-19-17-21-26-37-27-22-18-23-28-37/h18,22-23,27-28H,2-17,19-21,24-26,29-32H2,1H3/p+1
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20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284400
PNG
(2-{[Acetyl-(3-octadecylcarbamoyloxymethyl-oxetan-3...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1
Show InChI InChI=1S/C35H59N3O6/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-36-33(40)43-29-35(27-42-28-35)30-44-34(41)38(31(3)39)26-32-23-20-22-25-37(32)5-2/h20,22-23,25H,4-19,21,24,26-30H2,1-3H3/p+1
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20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM252998
PNG
(US9469608, 27-9)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)CCc2cnccc12 |r|
Show InChI InChI=1S/C22H25ClN4O3/c23-17-4-3-14(11-24)16(10-17)13-26-20(28)19-2-1-9-27(19)21(29)22(30)7-5-15-12-25-8-6-18(15)22/h3-4,6,8,10,12,19,30H,1-2,5,7,9,11,13,24H2,(H,26,28)/t19-,22?/m0/s1
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20n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...


US Patent US9469608 (2016)


BindingDB Entry DOI: 10.7270/Q2F18XNQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM252978
PNG
(US9469608, 5-9 | US9469608, 6-2)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(c[nH]1)C(=O)c1ccncc1 |r|
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21n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...


US Patent US9469608 (2016)


BindingDB Entry DOI: 10.7270/Q2F18XNQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284413
PNG
(2-{[Acetyl-((2S,4R)-4-hexadecyloxymethyl-oxetan-2-...)
Show SMILES CCCCCCCCCCCCCCCCOC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1
Show InChI InChI=1S/C32H55N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-23-37-26-30-24-31(39-30)27-38-32(36)34(28(3)35)25-29-21-18-19-22-33(29)5-2/h18-19,21-22,30-31H,4-17,20,23-27H2,1-3H3/q+1/t30-,31+/m1/s1
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21n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-PAF from PAF receptor in rabbit platelet membranes


Bioorg Med Chem Lett 5: 1097-1102 (1995)


Article DOI: 10.1016/0960-894X(95)00174-R
BindingDB Entry DOI: 10.7270/Q2NZ87KQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM252987
PNG
(US9469608, 15-8)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(c[nH]1)-c1ccccn1 |r|
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22n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...


US Patent US9469608 (2016)


BindingDB Entry DOI: 10.7270/Q2F18XNQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM252986
PNG
(US9469608, 14-5)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(c[nH]1)-c1cccnc1 |r|
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22n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...


US Patent US9469608 (2016)


BindingDB Entry DOI: 10.7270/Q2F18XNQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284400
PNG
(2-{[Acetyl-(3-octadecylcarbamoyloxymethyl-oxetan-3...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1
Show InChI InChI=1S/C35H59N3O6/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-36-33(40)43-29-35(27-42-28-35)30-44-34(41)38(31(3)39)26-32-23-20-22-25-37(32)5-2/h20,22-23,25H,4-19,21,24,26-30H2,1-3H3/p+1
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23n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM252974
PNG
(US9469608, 1-12)
Show SMILES CC(C)(C)[C@@H](CCO)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN |r|
Show InChI InChI=1S/C21H32ClN3O3/c1-21(2,3)17(8-10-26)20(28)25-9-4-5-18(25)19(27)24-13-15-11-16(22)7-6-14(15)12-23/h6-7,11,17-18,26H,4-5,8-10,12-13,23H2,1-3H3,(H,24,27)/t17-,18-/m0/s1
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25n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...


US Patent US9469608 (2016)


BindingDB Entry DOI: 10.7270/Q2F18XNQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284415
PNG
(1-Ethyl-2-{[((2R,4R)-4-hexadecylcarbamoyloxymethyl...)
Show SMILES CCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccc(OC)cc2)S1
Show InChI InChI=1S/C39H59N3O6S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-26-40-38(44)47-30-35-28-36(49-35)31-48-39(45)42(29-33-21-18-20-27-41(33)5-2)37(43)32-22-24-34(46-3)25-23-32/h18,20-25,27,35-36H,4-17,19,26,28-31H2,1-3H3/p+1/t35-,36-/m1/s1
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26n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-PAF from PAF receptor in rabbit platelet membranes


Bioorg Med Chem Lett 5: 1097-1102 (1995)


Article DOI: 10.1016/0960-894X(95)00174-R
BindingDB Entry DOI: 10.7270/Q2NZ87KQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM252977
PNG
(US9469608, 4-5)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([nH]1)C(F)(F)F |r|
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27n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...


US Patent US9469608 (2016)


BindingDB Entry DOI: 10.7270/Q2F18XNQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284398
PNG
(3-[5-(3-Octadecylcarbamoyloxymethyl-thietan-3-ylme...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccsc2)CSC1
Show InChI InChI=1S/C33H58N2O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-34-32(37)39-27-33(28-41-29-33)26-38-31(36)21-18-17-20-23-35-24-25-40-30-35/h24-25,30H,2-23,26-29H2,1H3/p+1
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28n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
More data for this
Ligand-Target Pair
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