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BDBM50306996 (S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-5-oxo-4-(4-(4-((2-oxopyrrolidin-1-yl)methyl)piperidin-1-yl)-6-phenylpicolinamido)pentanoic acid::CHEMBL601695

SMILES: CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CN2CCCC2=O)CC1

InChI Key: InChIKey=SWVNGPOJOZKTNE-LJAQVGFWSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50306996   
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))
BDBM50306996
PNG
((S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-5-oxo-4-(...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CN2CCCC2=O)CC1
Show InChI InChI=1S/C36H48N6O7/c1-2-3-22-49-36(48)41-20-18-40(19-21-41)35(47)29(11-12-33(44)45)38-34(46)31-24-28(23-30(37-31)27-8-5-4-6-9-27)39-16-13-26(14-17-39)25-42-15-7-10-32(42)43/h4-6,8-9,23-24,26,29H,2-3,7,10-22,25H2,1H3,(H,38,46)(H,44,45)/t29-/m0/s1
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Similars

Article
PubMed
0.790n/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