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BDBM50390013 CHEMBL2071529

SMILES: COc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)nc(OC)n1

InChI Key: InChIKey=BKBZRXSPMLJDFI-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50390013   
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))		BDBM50390013
PNG
(CHEMBL2071529)
Show SMILES COc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)nc(OC)n1
Show InChI InChI=1S/C19H18ClN5O5S/c1-29-17-11-16(23-19(24-17)30-2)25-31(27,28)15-8-6-13(7-9-15)21-18(26)22-14-5-3-4-12(20)10-14/h3-11H,1-2H3,(H2,21,22,26)(H,23,24,25)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 6.00E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [125I]MRS2500 from human P2Y1R expressed in Sf9 cell membrane

Bioorg Med Chem 20: 5254-61 (2012)


Article DOI: 10.1016/j.bmc.2012.06.044
BindingDB Entry DOI: 10.7270/Q2BP03V2
More data for this
Ligand-Target Pair