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PubMed code 1910091

Compile data set for download or QSAR
Found 7 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
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50010074
PNG
(CHEMBL99041 | [3-(5-oxabicyclo[2.2.1],3-formaldehy...)
Show SMILES OC(=O)Cc1cccc(CC2C3CCC(O3)C2C=NNC(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C23H25N3O4/c27-22(28)13-16-6-4-5-15(11-16)12-18-19(21-10-9-20(18)30-21)14-24-26-23(29)25-17-7-2-1-3-8-17/h1-8,11,14,18-21H,9-10,12-13H2,(H,27,28)(H2,25,26,29)
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n/an/an/a 171n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of specific binding of [3H]-SQ 29,548 to thromboxane A2 receptor in human platelet membranes


Citation and Details
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50010076
PNG
(CHEMBL99348 | {3-[2-(5-oxabicyclo[2.2.1],3-formald...)
Show SMILES OC(=O)Cc1cccc(CCC2C3CCC(O3)C2C=NNC(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C24H27N3O4/c28-23(29)14-17-6-4-5-16(13-17)9-10-19-20(22-12-11-21(19)31-22)15-25-27-24(30)26-18-7-2-1-3-8-18/h1-8,13,15,19-22H,9-12,14H2,(H,28,29)(H2,26,27,30)
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n/an/an/a 1.07E+3n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of specific binding of [3H]-SQ 29,548 to thromboxane A2 receptor in human platelet membranes


Citation and Details
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50010078
PNG
(CHEMBL95884 | [2-(5-oxabicyclo[2.2.1],3-formaldehy...)
Show SMILES OC(=O)COc1ccccc1CC1C2CCC(O2)C1C=NNC(=O)Nc1ccccc1
Show InChI InChI=1S/C23H25N3O5/c27-22(28)14-30-19-9-5-4-6-15(19)12-17-18(21-11-10-20(17)31-21)13-24-26-23(29)25-16-7-2-1-3-8-16/h1-9,13,17-18,20-21H,10-12,14H2,(H,27,28)(H2,25,26,29)
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n/an/an/a 6n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of specific binding of [3H]-SQ 29,548 to thromboxane A2 receptor in human platelet membranes


Citation and Details
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50010075
PNG
((5Z)-7-(5-oxabicyclo[2.2.1],3-formaldehyde (anilin...)
Show SMILES OC(=O)CCC\C=C/CC1C2CCC(O2)C1C=NNC(=O)Nc1ccccc1
Show InChI InChI=1S/C21H27N3O4/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/h1,3-6,8-9,14,16-19H,2,7,10-13H2,(H,25,26)(H2,23,24,27)/b6-1-,22-14?
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n/an/an/a 39.4n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of specific binding of [3H]-SQ 29,548 to thromboxane A2 receptor in human platelet membranes


Citation and Details
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50010072
PNG
(CHEMBL318673 | [3-(5-oxabicyclo[2.2.1],3-formaldeh...)
Show SMILES OC(=O)COc1cccc(CC2C3CCC(O3)C2C=NNC(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C23H25N3O5/c27-22(28)14-30-17-8-4-5-15(11-17)12-18-19(21-10-9-20(18)31-21)13-24-26-23(29)25-16-6-2-1-3-7-16/h1-8,11,13,18-21H,9-10,12,14H2,(H,27,28)(H2,25,26,29)
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n/an/an/a 1.20E+3n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of specific binding of [3H]-SQ 29,548 to thromboxane A2 receptor in human platelet membranes


Citation and Details
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50010077
PNG
(4-[2-(5-oxabicyclo[2.2.1],3-formaldehyde (anilinoc...)
Show SMILES OC(=O)CCCc1ccccc1CC1C2CCC(O2)C1C=NNC(=O)Nc1ccccc1
Show InChI InChI=1S/C25H29N3O4/c29-24(30)12-6-9-17-7-4-5-8-18(17)15-20-21(23-14-13-22(20)32-23)16-26-28-25(31)27-19-10-2-1-3-11-19/h1-5,7-8,10-11,16,20-23H,6,9,12-15H2,(H,29,30)(H2,27,28,31)
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n/an/an/a 21.1n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of specific binding of [3H]-SQ 29,548 to thromboxane A2 receptor in human platelet membranes


Citation and Details
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50010073
PNG
(3-(2-{3-[(E)-Phenylcarbamoylmethylimino-amino]-7-o...)
Show SMILES OC(=O)CCc1ccccc1CC1C2CCC(O2)C1C=NNC(=O)Nc1ccccc1
Show InChI InChI=1S/C24H27N3O4/c28-23(29)13-10-16-6-4-5-7-17(16)14-19-20(22-12-11-21(19)31-22)15-25-27-24(30)26-18-8-2-1-3-9-18/h1-9,15,19-22H,10-14H2,(H,28,29)(H2,26,27,30)
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n/an/an/a 1n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of specific binding of [3H]-SQ 29,548 to thromboxane A2 receptor in human platelet membranes


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%