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SMILES: CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2cnc(cn2)-c2ccccc2)CC1

InChI Key: InChIKey=LNQFVPAZVVASLK-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50015285   
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
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50015285
PNG
(CHEMBL3263065)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2cnc(cn2)-c2ccccc2)CC1
Show InChI InChI=1S/C33H36ClN5O/c1-32(2,3)21-38-17-15-33(16-18-38)22-39(31-28(40)14-13-24(34)30(31)33)27-12-8-7-11-25(27)37-29-20-35-26(19-36-29)23-9-5-4-6-10-23/h4-14,19-20,40H,15-18,21-22H2,1-3H3,(H,36,37)
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Article
PubMed
 49n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human cloned P2Y1 receptor expressed in HEK293 cells by SPA analysis

Bioorg Med Chem Lett 24: 2481-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.011
BindingDB Entry DOI: 10.7270/Q2R78GS0
More data for this
Ligand-Target Pair