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BDBM50306984 (S)-4-(4-(4-(azetidine-1-carbonyl)piperidin-1-yl)-6-phenylpicolinamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid::CHEMBL601905

SMILES: CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N1CCC1

InChI Key: InChIKey=YVKOAVOVRUXCEG-LJAQVGFWSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50306984   
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 P2Y12


(Homo sapiens (Human))
BDBM50306984
PNG
((S)-4-(4-(4-(azetidine-1-carbonyl)piperidin-1-yl)-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N1CCC1
Show InChI InChI=1S/C36H48N6O7/c1-2-3-7-23-49-36(48)42-21-19-41(20-22-42)35(47)29(11-12-32(43)44)38-33(45)31-25-28(24-30(37-31)26-9-5-4-6-10-26)39-17-13-27(14-18-39)34(46)40-15-8-16-40/h4-6,9-10,24-25,27,29H,2-3,7-8,11-23H2,1H3,(H,38,45)(H,43,44)/t29-/m0/s1
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Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human P2Y12 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1388-94 (2010)

More data for this
Ligand-Target Pair