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BDBM50302699 (S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(6-(4-(dimethylcarbamoyl)piperidin-1-yl)-2-phenylpyrimidine-4-carboxamido)-5-oxopentanoic acid::CHEMBL570289

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

InChI Key: InChIKey=JGMWIMJUKKYDPT-VWLOTQADSA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50302699   
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))
BDBM50302699
PNG
((S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(6-(4-(...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N(C)C
Show InChI InChI=1S/C33H45N7O7/c1-4-5-21-47-33(46)40-19-17-39(18-20-40)32(45)25(11-12-28(41)42)35-30(43)26-22-27(36-29(34-26)23-9-7-6-8-10-23)38-15-13-24(14-16-38)31(44)37(2)3/h6-10,22,24-25H,4-5,11-21H2,1-3H3,(H,35,43)(H,41,42)/t25-/m0/s1
PDB

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PC cid
PC sid
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Similars

Article
PubMed
1.30n/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)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302699
PNG
((S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(6-(4-(...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N(C)C
Show InChI InChI=1S/C33H45N7O7/c1-4-5-21-47-33(46)40-19-17-39(18-20-40)32(45)25(11-12-28(41)42)35-30(43)26-22-27(36-29(34-26)23-9-7-6-8-10-23)38-15-13-24(14-16-38)31(44)37(2)3/h6-10,22,24-25H,4-5,11-21H2,1-3H3,(H,35,43)(H,41,42)/t25-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+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)

More data for this
Ligand-Target Pair