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Compile Data Set for Download or QSAR

Found 9 hits with Last Name = 'garber' and Initial = 'd'   
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
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50015847
PNG
(7-(3-{[2-(5-Cyclohexyl-pentanoylamino)-acetylamino...)
Show SMILES OC(=O)CCC\C=C\CC1C2CCC(O2)C1CNC(=O)CNC(=O)CCCCC1CCCCC1 |THB:8:9:14:12.11,16:15:14:12.11|
Show InChI InChI=1S/C27H44N2O5/c30-25(14-9-8-12-20-10-4-3-5-11-20)29-19-26(31)28-18-22-21(23-16-17-24(22)34-23)13-6-1-2-7-15-27(32)33/h1,6,20-24H,2-5,7-19H2,(H,28,31)(H,29,30)(H,32,33)/b6-1+
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n/an/an/a 2.60n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Binding affinity was determined from the inhibition of [3H]-SQ 29,548 binding to Thromboxane A2 receptor in human platelet membranes.


J Med Chem 33: 2465-76 (1990)


BindingDB Entry DOI: 10.7270/Q2V123S1
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50015848
PNG
(7-{3-[(2-Heptanethioylamino-acetylamino)-methyl]-7...)
Show SMILES CCCCCCC(=S)NCC(=O)NCC1C2CCC(O2)C1C\C=C\CCCC(O)=O |THB:21:20:19:16.17,13:14:19:16.17|
Show InChI InChI=1S/C23H38N2O4S/c1-2-3-4-8-11-22(30)25-16-21(26)24-15-18-17(19-13-14-20(18)29-19)10-7-5-6-9-12-23(27)28/h5,7,17-20H,2-4,6,8-16H2,1H3,(H,24,26)(H,25,30)(H,27,28)/b7-5+
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n/an/an/a 12n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Binding affinity was determined from the inhibition of [3H]-SQ 29,548 binding to Thromboxane A2 receptor in human platelet membranes.


J Med Chem 33: 2465-76 (1990)


BindingDB Entry DOI: 10.7270/Q2V123S1
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50015849
PNG
(7-{3-[(2-Octanoylamino-acetylamino)-methyl]-7-oxa-...)
Show SMILES CCCCCCCC(=O)NCC(=O)NCC1C2CCC(O2)C1C\C=C\CCCC(O)=O |THB:22:21:20:17.18,14:15:20:17.18|
Show InChI InChI=1S/C24H40N2O5/c1-2-3-4-5-9-12-22(27)26-17-23(28)25-16-19-18(20-14-15-21(19)31-20)11-8-6-7-10-13-24(29)30/h6,8,18-21H,2-5,7,9-17H2,1H3,(H,25,28)(H,26,27)(H,29,30)/b8-6+
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n/an/an/a 50n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Binding affinity was determined from the inhibition of [3H]-SQ 29,548 binding to Thromboxane A2 receptor in human platelet membranes.


J Med Chem 33: 2465-76 (1990)


BindingDB Entry DOI: 10.7270/Q2V123S1
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50015850
PNG
(7-(3-{[2-(2-Phenylsulfanyl-acetylamino)-acetylamin...)
Show SMILES OC(=O)CCC\C=C\CC1C2CCC(O2)C1CNC(=O)CNC(=O)CSc1ccccc1 |THB:16:15:14:12.11,8:9:14:12.11|
Show InChI InChI=1S/C24H32N2O5S/c27-22(15-26-23(28)16-32-17-8-4-3-5-9-17)25-14-19-18(20-12-13-21(19)31-20)10-6-1-2-7-11-24(29)30/h1,3-6,8-9,18-21H,2,7,10-16H2,(H,25,27)(H,26,28)(H,29,30)/b6-1+
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n/an/an/a 41n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Binding affinity was determined from the inhibition of [3H]-SQ 29,548 binding to Thromboxane A2 receptor in human platelet membranes.


J Med Chem 33: 2465-76 (1990)


BindingDB Entry DOI: 10.7270/Q2V123S1
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50015849
PNG
(7-{3-[(2-Octanoylamino-acetylamino)-methyl]-7-oxa-...)
Show SMILES CCCCCCCC(=O)NCC(=O)NCC1C2CCC(O2)C1C\C=C\CCCC(O)=O |THB:22:21:20:17.18,14:15:20:17.18|
Show InChI InChI=1S/C24H40N2O5/c1-2-3-4-5-9-12-22(27)26-17-23(28)25-16-19-18(20-14-15-21(19)31-20)11-8-6-7-10-13-24(29)30/h6,8,18-21H,2-5,7,9-17H2,1H3,(H,25,28)(H,26,27)(H,29,30)/b8-6+
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n/an/an/a 49.6n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Binding affinity was determined from the inhibition of [3H]-SQ 29,548 binding to Thromboxane A2 receptor in human platelet membranes.


J Med Chem 33: 2465-76 (1990)


BindingDB Entry DOI: 10.7270/Q2V123S1
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50015851
PNG
(7-[3-({2-[2-(4-tert-Butyl-phenylsulfanyl)-acetylam...)
Show SMILES CC(C)(C)c1ccc(SCC(=O)NCC(=O)NCC2C3CCC(O3)C2C\C=C\CCCC(O)=O)cc1 |THB:17:18:23:20.21,25:24:23:20.21|
Show InChI InChI=1S/C28H40N2O5S/c1-28(2,3)19-10-12-20(13-11-19)36-18-26(32)30-17-25(31)29-16-22-21(23-14-15-24(22)35-23)8-6-4-5-7-9-27(33)34/h4,6,10-13,21-24H,5,7-9,14-18H2,1-3H3,(H,29,31)(H,30,32)(H,33,34)/b6-4+
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n/an/an/a 4.20n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Binding affinity was determined from the inhibition of [3H]-SQ 29,548 binding to Thromboxane A2 receptor in human platelet membranes.


J Med Chem 33: 2465-76 (1990)


BindingDB Entry DOI: 10.7270/Q2V123S1
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50015853
PNG
(7-(3-{[2-(4-Cyclohexyl-butyrylamino)-acetylamino]-...)
Show SMILES OC(=O)CCC\C=C\CC1C2CCC(O2)C1CNC(=O)CNC(=O)CCCC1CCCCC1 |THB:8:9:14:12.11,16:15:14:12.11|
Show InChI InChI=1S/C26H42N2O5/c29-24(13-8-11-19-9-4-3-5-10-19)28-18-25(30)27-17-21-20(22-15-16-23(21)33-22)12-6-1-2-7-14-26(31)32/h1,6,19-23H,2-5,7-18H2,(H,27,30)(H,28,29)(H,31,32)/b6-1+
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n/an/an/a 1.10n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Binding affinity was determined from the inhibition of [3H]-SQ 29,548 binding to Thromboxane A2 receptor in human platelet membranes.


J Med Chem 33: 2465-76 (1990)


BindingDB Entry DOI: 10.7270/Q2V123S1
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50015854
PNG
(7-{3-[(2-Heptanethioylamino-thioacetylamino)-methy...)
Show SMILES CCCCCCC(=S)NCC(=S)NCC1C2CC[C@@H](O2)C1C\C=C\CCCC(O)=O
Show InChI InChI=1S/C23H38N2O3S2/c1-2-3-4-8-11-21(29)25-16-22(30)24-15-18-17(19-13-14-20(18)28-19)10-7-5-6-9-12-23(26)27/h5,7,17-20H,2-4,6,8-16H2,1H3,(H,24,30)(H,25,29)(H,26,27)/b7-5+/t17?,18?,19-,20?/m1/s1
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n/an/an/a 26n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Binding affinity was determined from the inhibition of [3H]-SQ 29,548 binding to Thromboxane A2 receptor in human platelet membranes.


J Med Chem 33: 2465-76 (1990)


BindingDB Entry DOI: 10.7270/Q2V123S1
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50015852
PNG
(7-{3-[(2-Nonanoylamino-acetylamino)-methyl]-7-oxa-...)
Show SMILES CCCCCCCCC(=O)NCC(=O)NCC1C2CCC(O2)C1C\C=C\CCCC(O)=O |THB:23:22:21:18.19,15:16:21:18.19|
Show InChI InChI=1S/C25H42N2O5/c1-2-3-4-5-6-10-13-23(28)27-18-24(29)26-17-20-19(21-15-16-22(20)32-21)12-9-7-8-11-14-25(30)31/h7,9,19-22H,2-6,8,10-18H2,1H3,(H,26,29)(H,27,28)(H,30,31)/b9-7+
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n/an/an/a 8.30n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Binding affinity was determined from the inhibition of [3H]-SQ 29,548 binding to Thromboxane A2 receptor in human platelet membranes.


J Med Chem 33: 2465-76 (1990)


BindingDB Entry DOI: 10.7270/Q2V123S1
More data for this
Ligand-Target Pair