BindingDB logo
myBDB logout

BDBM50037761 5-[1-Cyclohexyl-2-imidazol-1-yl-3-phenyl-prop-(Z)-ylideneaminooxy]-pentanoic acid::CHEMBL444856

SMILES: OC(=O)CCCCO\N=C(/C(Cc1ccccc1)n1ccnc1)C1CCCCC1

InChI Key: InChIKey=LBMBJNYANOLTNM-BZZOAKBMSA-N

Data: 2 IC50

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 2 hits for monomerid = 50037761   
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))
BDBM50037761
PNG
(5-[1-Cyclohexyl-2-imidazol-1-yl-3-phenyl-prop-(Z)-...)
Show SMILES OC(=O)CCCCO\N=C(/C(Cc1ccccc1)n1ccnc1)C1CCCCC1
Show InChI InChI=1S/C23H31N3O3/c27-22(28)13-7-8-16-29-25-23(20-11-5-2-6-12-20)21(26-15-14-24-18-26)17-19-9-3-1-4-10-19/h1,3-4,9-10,14-15,18,20-21H,2,5-8,11-13,16-17H2,(H,27,28)/b25-23-
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 970n/an/an/an/an/an/a



Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
In vitro thromboxane-A2 receptor binding affinity to displace by 50% [3H]-SQ 29548 binding from washed human platelets


J Med Chem 37: 3588-604 (1994)


BindingDB Entry DOI: 10.7270/Q2C24VFD
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50037761
PNG
(5-[1-Cyclohexyl-2-imidazol-1-yl-3-phenyl-prop-(Z)-...)
Show SMILES OC(=O)CCCCO\N=C(/C(Cc1ccccc1)n1ccnc1)C1CCCCC1
Show InChI InChI=1S/C23H31N3O3/c27-22(28)13-7-8-16-29-25-23(20-11-5-2-6-12-20)21(26-15-14-24-18-26)17-19-9-3-1-4-10-19/h1,3-4,9-10,14-15,18,20-21H,2,5-8,11-13,16-17H2,(H,27,28)/b25-23-
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 100n/an/an/an/an/an/a



Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane-A2 synthase in rat whole blood during clotting at 37 degrees centigrade


J Med Chem 37: 3588-604 (1994)


BindingDB Entry DOI: 10.7270/Q2C24VFD
More data for this
Ligand-Target Pair