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BDBM50307664 (4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-[({4-[(morpholin-4-ylcarbonyl)xy]-6-phenylpyridin-2-yl}carbonyl)amino]-5-oxopentanoic Acid::CHEMBL592441

SMILES: CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(=O)N2CCOCC2)cc(n1)-c1ccccc1

InChI Key: InChIKey=YURHLZOCSFKDPN-DEOSSOPVSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50307664   
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))
BDBM50307664
PNG
((4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-[({4-[(...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(=O)N2CCOCC2)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C31H39N5O9/c1-2-3-17-44-30(41)35-13-11-34(12-14-35)29(40)24(9-10-27(37)38)33-28(39)26-21-23(45-31(42)36-15-18-43-19-16-36)20-25(32-26)22-7-5-4-6-8-22/h4-8,20-21,24H,2-3,9-19H2,1H3,(H,33,39)(H,37,38)/t24-/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair