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BDBM50302695 (S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(6-(4-(diethylcarbamoyl)piperidin-1-yl)-2-phenylpyrimidine-4-carboxamido)-5-oxopentanoic acid::CHEMBL568211

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

InChI Key: InChIKey=VMLASUDVCYNFFT-MHZLTWQESA-N

Data: 1 KI  1 IC50

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50302695   
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))
BDBM50302695
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(CC)CC
Show InChI InChI=1S/C35H49N7O7/c1-4-7-23-49-35(48)42-21-19-41(20-22-42)34(47)27(13-14-30(43)44)37-32(45)28-24-29(38-31(36-28)25-11-9-8-10-12-25)40-17-15-26(16-18-40)33(46)39(5-2)6-3/h8-12,24,26-27H,4-7,13-23H2,1-3H3,(H,37,45)(H,43,44)/t27-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
0.790n/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))
BDBM50302695
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(CC)CC
Show InChI InChI=1S/C35H49N7O7/c1-4-7-23-49-35(48)42-21-19-41(20-22-42)34(47)27(13-14-30(43)44)37-32(45)28-24-29(38-31(36-28)25-11-9-8-10-12-25)40-17-15-26(16-18-40)33(46)39(5-2)6-3/h8-12,24,26-27H,4-7,13-23H2,1-3H3,(H,37,45)(H,43,44)/t27-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 280n/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