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BDBM50271599 CHEMBL4128208

SMILES: CCOCCNc1nc2[C@@H](c3ccc(Cl)cc3C=Cc2s1)c1cn(C)c(=O)[nH]c1=S

InChI Key: InChIKey=YSHXPELIHNYJBY-KRWDZBQOSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50271599   
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 P2Y2


(Homo sapiens (Human))		BDBM50271599
PNG
(CHEMBL4128208)
Show SMILES CCOCCNc1nc2[C@@H](c3ccc(Cl)cc3C=Cc2s1)c1cn(C)c(=O)[nH]c1=S |r,c:18|
Show InChI InChI=1S/C21H21ClN4O2S2/c1-3-28-9-8-23-20-24-18-16(30-20)7-4-12-10-13(22)5-6-14(12)17(18)15-11-26(2)21(27)25-19(15)29/h4-7,10-11,17H,3,8-9H2,1-2H3,(H,23,24)(H,25,27,29)/t17-/m0/s1
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 275n/an/an/an/an/an/an/an/a



University Park Nottingham

Curated by ChEMBL


Assay Description
Displacement of (E)-2-((5-(7-Chloro-2-((3-((2-(6-(3-(5,5-difluoro-7,9-dimethyl-5H-5-lambda4,6-lambda4-dipyrrolo[1,2-c:2,1-f ][1,3,2]diazaborinin-3-yl...

J Med Chem 61: 3089-3113 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00139
BindingDB Entry DOI: 10.7270/Q21C20CD
More data for this
Ligand-Target Pair