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BDBM50306971 (S)-4-(4-(4-(2-(diethylamino)-2-oxoethyl)piperazin-1-yl)-6-phenylpicolinamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid::CHEMBL602108

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

InChI Key: InChIKey=FQXPKQZNONWCSH-ITTNFTAPNA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50306971   
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))
BDBM50306971
PNG
((S)-4-(4-(4-(2-(diethylamino)-2-oxoethyl)piperazin...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCN(CC(=O)N(CC)CC)CC1
Show InChI InChI=1/C37H53N7O7/c1-4-7-11-24-51-37(50)44-22-20-43(21-23-44)36(49)30(14-15-34(46)47)39-35(48)32-26-29(25-31(38-32)28-12-9-8-10-13-28)42-18-16-40(17-19-42)27-33(45)41(5-2)6-3/h8-10,12-13,25-26,30H,4-7,11,14-24,27H2,1-3H3,(H,39,48)(H,46,47)/t30-/s2
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Similars

Article
PubMed
5.90n/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)


Article DOI: 10.1016/j.bmcl.2009.12.110
BindingDB Entry DOI: 10.7270/Q2ZP467B
More data for this
Ligand-Target Pair