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PubMed code 1826745

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM81947
PNG
(CAS_113243-00-8 | L-657926)
Show SMILES OC(=O)C[C@@H]1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccc(F)cc21 |r|
Show InChI InChI=1S/C21H19ClFNO2/c22-15-6-4-13(5-7-15)12-24-19-9-8-16(23)11-18(19)17-3-1-2-14(21(17)24)10-20(25)26/h4-9,11,14H,1-3,10,12H2,(H,25,26)/t14-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Binding affinity towards Thromboxane A2/ Prostaglandin H2 receptor in human platelet membranes using [125I]- as the radioligand.

J Med Chem 34: 1511-4 (1991)


BindingDB Entry DOI: 10.7270/Q2B56KB7
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM81947
PNG
(CAS_113243-00-8 | L-657926)
Show SMILES OC(=O)C[C@@H]1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccc(F)cc21 |r|
Show InChI InChI=1S/C21H19ClFNO2/c22-15-6-4-13(5-7-15)12-24-19-9-8-16(23)11-18(19)17-3-1-2-14(21(17)24)10-20(25)26/h4-9,11,14H,1-3,10,12H2,(H,25,26)/t14-/m0/s1
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n/an/a 11.2n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Binding affinity towards Thromboxane A2/ Prostaglandin H2 receptor in human platelet membranes using [125I]- as the radioligand.

J Med Chem 34: 1511-4 (1991)


BindingDB Entry DOI: 10.7270/Q2B56KB7
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM50452544
PNG
(CHEMBL2448578)
Show SMILES [H][C@]12CC[C@@]([H])(O1)[C@H](C\C=C/CCCC(O)=O)[C@@H]2CNNC(=O)Nc1ccccc1 |r,THB:18:17:6:2.3|
Show InChI InChI=1S/C21H29N3O4/c25-20(26)11-7-2-1-6-10-16-17(19-13-12-18(16)28-19)14-22-24-21(27)23-15-8-4-3-5-9-15/h1,3-6,8-9,16-19,22H,2,7,10-14H2,(H,25,26)(H2,23,24,27)/b6-1-/t16-,17+,18-,19-/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Binding affinity towards Thromboxane A2 receptor/Prostaglandin receptor in human platelet membranes using [125I]- as the radioligand

J Med Chem 34: 1511-4 (1991)


BindingDB Entry DOI: 10.7270/Q2B56KB7
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM82512
PNG
(CAS_128719-90-4 | I-BOP)
Show SMILES O[C@@H](COc1ccc(I)cc1)\C=C\[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C\C=C/CCCC(O)=O |r,TLB:20:19:18:16.15,THB:12:13:18:16.15|
Show InChI InChI=1S/C23H29IO5/c24-16-7-10-18(11-8-16)28-15-17(25)9-12-20-19(21-13-14-22(20)29-21)5-3-1-2-4-6-23(26)27/h1,3,7-12,17,19-22,25H,2,4-6,13-15H2,(H,26,27)/b3-1-,12-9+/t17-,19-,20-,21+,22-/m1/s1
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MCE
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n/an/a 50n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Binding affinity towards Thromboxane A2 receptor/Prostaglandin receptor in human platelet membranes using [125I]- as the radioligand

J Med Chem 34: 1511-4 (1991)


BindingDB Entry DOI: 10.7270/Q2B56KB7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%