BindingDB logo
myBDB logout

BDBM50047281 2-{3-[2-(3-Methanesulfonylamino-3-oxo-propyl)-benzyl]-7-oxa-bicyclo[2.2.1]hept-2-yl}-oxazole-4-carboxylic acid (4-cyclohexyl-butyl)-amide::CHEMBL30398

SMILES: CS(=O)(=O)NC(=O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(co1)C(=O)NCCCCC1CCCCC1

InChI Key: InChIKey=GUQZFAORYXDJNW-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50047281   
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))		BDBM50047281
PNG
(2-{3-[2-(3-Methanesulfonylamino-3-oxo-propyl)-benz...)
Show SMILES CS(=O)(=O)NC(=O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(co1)C(=O)NCCCCC1CCCCC1 |TLB:15:16:21:19.18,THB:23:22:21:19.18|
Show InChI InChI=1S/C31H43N3O6S/c1-41(37,38)34-28(35)17-14-22-12-5-6-13-23(22)19-24-26-15-16-27(40-26)29(24)31-33-25(20-39-31)30(36)32-18-8-7-11-21-9-3-2-4-10-21/h5-6,12-13,20-21,24,26-27,29H,2-4,7-11,14-19H2,1H3,(H,32,36)(H,34,35)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/a 1.60n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand

J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair