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SMILES: CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2ccc(nn2)-c2ccccc2)CC1

InChI Key: InChIKey=HHZQQMPHZMXNOW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50015284   
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))		BDBM50015284
PNG
(CHEMBL3263064)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2ccc(nn2)-c2ccccc2)CC1
Show InChI InChI=1S/C33H36ClN5O/c1-32(2,3)21-38-19-17-33(18-20-38)22-39(31-28(40)15-13-24(34)30(31)33)27-12-8-7-11-26(27)35-29-16-14-25(36-37-29)23-9-5-4-6-10-23/h4-16,40H,17-22H2,1-3H3,(H,35,37)
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Similars
Article
PubMed
 511n/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