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BDBM50445187 CHEMBL3104627

SMILES: OC(=O)CN1CCC2(CN(c3ccccc23)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1

InChI Key: InChIKey=WIGWLFCKWJKTDU-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50445187   
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))		BDBM50445187
PNG
(CHEMBL3104627)
Show SMILES OC(=O)CN1CCC2(CN(c3ccccc23)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C28H27F3N4O4/c29-28(30,31)39-20-11-9-19(10-12-20)32-26(38)33-22-6-2-4-8-24(22)35-18-27(21-5-1-3-7-23(21)35)13-15-34(16-14-27)17-25(36)37/h1-12H,13-18H2,(H,36,37)(H2,32,33,38)
PDB

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PC sid
UniChem

Similars
Article
PubMed
 1.35E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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

J Med Chem 56: 9275-95 (2013)


Article DOI: 10.1021/jm4013906
BindingDB Entry DOI: 10.7270/Q2KW5HHP
More data for this
Ligand-Target Pair