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BDBM50307731 (4S)5-[4-(Butoxycarbonyl)iperazin-1-yl]-4-({[4-(3-hydroxypropoxy)6-phenylpyridin-2-yl]carbonyl}amino)5-oxopentanoicAcid::CHEMBL599637

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

InChI Key: InChIKey=KNLKSDKIXOPILM-QWVACARCNA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50307731   
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))
BDBM50307731
PNG
((4S)5-[4-(Butoxycarbonyl)iperazin-1-yl]-4-({[4-(3-...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCCCO)cc(n1)-c1ccccc1
Show InChI InChI=1/C29H38N4O8/c1-2-3-17-41-29(39)33-14-12-32(13-15-33)28(38)23(10-11-26(35)36)31-27(37)25-20-22(40-18-7-16-34)19-24(30-25)21-8-5-4-6-9-21/h4-6,8-9,19-20,23,34H,2-3,7,10-18H2,1H3,(H,31,37)(H,35,36)/t23-/s2
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Similars

Article
PubMed
6.90n/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