BindingDB logo
myBDB logout

BDBM50444483 CHEMBL3092614

SMILES: CC(C)CN1CCc2c(C1)cccc2Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=WCFRBYYXLPOTLD-UHFFFAOYSA-N

Data: 1 KI

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 = 50444483   
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
Purinergic receptor P2Y1


(Homo sapiens (Human))		BDBM50444483
PNG
(CHEMBL3092614)
Show SMILES CC(C)CN1CCc2c(C1)cccc2Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H27F3N4O3/c1-17(2)15-33-14-12-21-18(16-33)5-3-7-23(21)35-24-22(6-4-13-30-24)32-25(34)31-19-8-10-20(11-9-19)36-26(27,28)29/h3-11,13,17H,12,14-16H2,1-2H3,(H2,31,32,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells after 1 hr by scintillation counting method

Bioorg Med Chem Lett 23: 6825-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.009
BindingDB Entry DOI: 10.7270/Q2TQ630T
More data for this
Ligand-Target Pair