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BDBM50406400 CHEMBL301098

SMILES: C[C@H]([C@H](O)\C=C\C1C2CCC(O2)C1C\C=C/CCCC(O)=O)c1ccccc1

InChI Key: InChIKey=VGRCPALIWBYEPM-DNAHJEAESA-N

Data: 1 IC50  2 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50406400   
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
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50406400
PNG
(CHEMBL301098)
Show SMILES C[C@H]([C@H](O)\C=C\C1C2CCC(O2)C1C\C=C/CCCC(O)=O)c1ccccc1 |THB:13:12:11:8.9,5:6:11:8.9|
Show InChI InChI=1S/C24H32O4/c1-17(18-9-5-4-6-10-18)21(25)14-13-20-19(22-15-16-23(20)28-22)11-7-2-3-8-12-24(26)27/h2,4-7,9-10,13-14,17,19-23,25H,3,8,11-12,15-16H2,1H3,(H,26,27)/b7-2-,14-13+/t17-,19?,20?,21+,22?,23?/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 10n/an/an/an/an/a



Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against Thromboxane A2 receptor in guinea pig trachea in the presence of 11,9-epoxymethano-PGH2


J Med Chem 33: 1741-8 (1990)


BindingDB Entry DOI: 10.7270/Q2222VZK
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50406400
PNG
(CHEMBL301098)
Show SMILES C[C@H]([C@H](O)\C=C\C1C2CCC(O2)C1C\C=C/CCCC(O)=O)c1ccccc1 |THB:13:12:11:8.9,5:6:11:8.9|
Show InChI InChI=1S/C24H32O4/c1-17(18-9-5-4-6-10-18)21(25)14-13-20-19(22-15-16-23(20)28-22)11-7-2-3-8-12-24(26)27/h2,4-7,9-10,13-14,17,19-23,25H,3,8,11-12,15-16H2,1H3,(H,26,27)/b7-2-,14-13+/t17-,19?,20?,21+,22?,23?/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.98E+3n/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against Thromboxane A2 receptor in guinea pig trachea in the presence of 9,11-azo-PGH2


J Med Chem 33: 1741-8 (1990)


BindingDB Entry DOI: 10.7270/Q2222VZK
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(RAT)
BDBM50406400
PNG
(CHEMBL301098)
Show SMILES C[C@H]([C@H](O)\C=C\C1C2CCC(O2)C1C\C=C/CCCC(O)=O)c1ccccc1 |THB:13:12:11:8.9,5:6:11:8.9|
Show InChI InChI=1S/C24H32O4/c1-17(18-9-5-4-6-10-18)21(25)14-13-20-19(22-15-16-23(20)28-22)11-7-2-3-8-12-24(26)27/h2,4-7,9-10,13-14,17,19-23,25H,3,8,11-12,15-16H2,1H3,(H,26,27)/b7-2-,14-13+/t17-,19?,20?,21+,22?,23?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 10n/an/an/an/an/a



Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
Antagonistic activity against Thromboxane A2 receptor in rat aorta in the presence of 11,9-epoxymethano-PGH2


J Med Chem 33: 1741-8 (1990)


BindingDB Entry DOI: 10.7270/Q2222VZK
More data for this
Ligand-Target Pair