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BDBM50302716 (S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(6-(4-methoxypiperidin-1-yl)-2-phenylpyrimidine-4-carboxamido)-5-oxopentanoic acid::CHEMBL570155

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

InChI Key: InChIKey=ZTMYBEABVWIVAC-DEOSSOPVSA-N

Data: 1 KI  1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50302716   
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))
BDBM50302716
PNG
((S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(6-(4-m...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)OC |r|
Show InChI InChI=1S/C31H42N6O7/c1-3-4-20-44-31(42)37-18-16-36(17-19-37)30(41)24(10-11-27(38)39)33-29(40)25-21-26(35-14-12-23(43-2)13-15-35)34-28(32-25)22-8-6-5-7-9-22/h5-9,21,23-24H,3-4,10-20H2,1-2H3,(H,33,40)(H,38,39)/t24-/m0/s1
PDB

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UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302716
PNG
((S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(6-(4-m...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)OC |r|
Show InChI InChI=1S/C31H42N6O7/c1-3-4-20-44-31(42)37-18-16-36(17-19-37)30(41)24(10-11-27(38)39)33-29(40)25-21-26(35-14-12-23(43-2)13-15-35)34-28(32-25)22-8-6-5-7-9-22/h5-9,21,23-24H,3-4,10-20H2,1-2H3,(H,33,40)(H,38,39)/t24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation by light transmission ...


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair