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BDBM50391307 CHEMBL162133

SMILES: OCc1cnccc1-c1ccc(CO[C@@H]2CC[C@@H]([C@H]2OC\C=C/CCC(O)=O)N2CCCCCC2)cc1

InChI Key: InChIKey=YBCQOWWJDRETOA-PCFKBGPBSA-N

Data: 2 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50391307   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thromboxane A2 receptor


(RAT)
BDBM50391307
PNG
(CHEMBL162133)
Show SMILES OCc1cnccc1-c1ccc(CO[C@@H]2CC[C@@H]([C@H]2OC\C=C/CCC(O)=O)N2CCCCCC2)cc1
Show InChI InChI=1S/C30H40N2O5/c33-21-25-20-31-16-15-26(25)24-11-9-23(10-12-24)22-37-28-14-13-27(32-17-5-1-2-6-18-32)30(28)36-19-7-3-4-8-29(34)35/h3,7,9-12,15-16,20,27-28,30,33H,1-2,4-6,8,13-14,17-19,21-22H2,(H,34,35)/b7-3-/t27-,28+,30+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/an/a 15.8n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro thromboxane A2 receptor antagonism through inhibition of U-46619-induced contraction of rat isolated thoracic aortic strip


Bioorg Med Chem Lett 1: 695-698 (1991)

Checked by Author
Article DOI: 10.1016/S0960-894X(01)81050-7
BindingDB Entry DOI: 10.7270/Q2125TT6
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50391307
PNG
(CHEMBL162133)
Show SMILES OCc1cnccc1-c1ccc(CO[C@@H]2CC[C@@H]([C@H]2OC\C=C/CCC(O)=O)N2CCCCCC2)cc1
Show InChI InChI=1S/C30H40N2O5/c33-21-25-20-31-16-15-26(25)24-11-9-23(10-12-24)22-37-28-14-13-27(32-17-5-1-2-6-18-32)30(28)36-19-7-3-4-8-29(34)35/h3,7,9-12,15-16,20,27-28,30,33H,1-2,4-6,8,13-14,17-19,21-22H2,(H,34,35)/b7-3-/t27-,28+,30+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/an/a 3.16n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro thromboxane A2 receptor antagonism through inhibition of U-46619-induced platelet aggregation in human whole blood.


Bioorg Med Chem Lett 1: 695-698 (1991)

Checked by Author
Article DOI: 10.1016/S0960-894X(01)81050-7
BindingDB Entry DOI: 10.7270/Q2125TT6
More data for this
Ligand-Target Pair