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PubMed code 1535377

Compile data set for download or QSAR
Found 5 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))
BDBM50005097
PNG
(7-(4-Fluoro-phenyl)-7-(3-formyl-6-hydroxy-2,4,5-tr...)
Show SMILES Cc1c(C)c(C=O)c(C)c(C(CCCCCC(O)=O)c2ccc(F)cc2)c1O
Show InChI InChI=1S/C23H27FO4/c1-14-15(2)23(28)22(16(3)20(14)13-25)19(7-5-4-6-8-21(26)27)17-9-11-18(24)12-10-17/h9-13,19,28H,4-8H2,1-3H3,(H,26,27)
UniProtKB/SwissProt

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PubMed
n/an/a 4.40n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit specific binding of [3H]-U-46,619 to Thromboxane A2/ Prostaglandin H2 receptor in guinea pig platel...


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


(Homo sapiens (Human))
BDBM50005108
PNG
(7-(3-Formyl-6-hydroxy-2,4,5-trimethyl-phenyl)-7-ph...)
Show SMILES Cc1c(C)c(C=O)c(C)c(C(CCCCCC(O)=O)c2ccccc2)c1O
Show InChI InChI=1S/C23H28O4/c1-15-16(2)23(27)22(17(3)20(15)14-24)19(18-10-6-4-7-11-18)12-8-5-9-13-21(25)26/h4,6-7,10-11,14,19,27H,5,8-9,12-13H2,1-3H3,(H,25,26)
UniProtKB/SwissProt

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UniChem

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PubMed
n/an/a 20n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit specific binding of [3H]-U-46,619 to Thromboxane A2/ Prostaglandin H2 receptor in guinea pig platel...


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


(Homo sapiens (Human))
BDBM50005102
PNG
(7-(4-Fluoro-phenyl)-7-(4-formyl-2-hydroxy-3,5,6-tr...)
Show SMILES Cc1c(C)c(C(CCCCCC(O)=O)c2ccc(F)cc2)c(O)c(C)c1C=O
Show InChI InChI=1S/C23H27FO4/c1-14-15(2)22(23(28)16(3)20(14)13-25)19(7-5-4-6-8-21(26)27)17-9-11-18(24)12-10-17/h9-13,19,28H,4-8H2,1-3H3,(H,26,27)
UniProtKB/SwissProt

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PC sid
UniChem

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PubMed
n/an/a 30n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit specific binding of [3H]-U-46,619 to Thromboxane A2/ Prostaglandin H2 receptor in guinea pig platel...


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


(Homo sapiens (Human))
BDBM50005113
PNG
(7-(2,5-Dihydroxy-3,4,6-trimethyl-phenyl)-7-(4-fluo...)
Show SMILES Cc1c(C)c(O)c(C(CCCCCC(O)=O)c2ccc(F)cc2)c(C)c1O
Show InChI InChI=1S/C22H27FO4/c1-13-14(2)22(27)20(15(3)21(13)26)18(7-5-4-6-8-19(24)25)16-9-11-17(23)12-10-16/h9-12,18,26-27H,4-8H2,1-3H3,(H,24,25)
UniProtKB/SwissProt

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PC sid
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PubMed
n/an/a 200n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit specific binding of [3H]-U-46,619 to Thromboxane A2/ Prostaglandin H2 receptor in guinea pig platel...


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


(Homo sapiens (Human))
BDBM50005098
PNG
(7-(4-Fluoro-phenyl)-7-(2,4,5-trimethyl-3,6-dioxo-c...)
Show SMILES Cc1c(C)c(O)c(C(=CCCCCC(O)=O)c2ccc(F)cc2)c(C)c1O
Show InChI InChI=1S/C22H25FO4/c1-13-14(2)22(27)20(15(3)21(13)26)18(7-5-4-6-8-19(24)25)16-9-11-17(23)12-10-16/h7,9-12,26-27H,4-6,8H2,1-3H3,(H,24,25)
UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


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PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit specific binding of [3H]-U-46,619 to Thromboxane A2/ Prostaglandin H2 receptor in guinea pig platel...


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