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BDBM50302688 (S)-4-(6-(4-(2-(methylamino)-2-oxoethyl)piperidin-1-yl)-2-phenylpyrimidine-4-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid::CHEMBL565409

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

InChI Key: InChIKey=ZGJOIKGPFOECAU-SANMLTNESA-N

Data: 1 KI  1 IC50

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50302688   
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))
BDBM50302688
PNG
((S)-4-(6-(4-(2-(methylamino)-2-oxoethyl)piperidin-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC(=O)NC)CC1
Show InChI InChI=1S/C34H47N7O7/c1-3-4-8-21-48-34(47)41-19-17-40(18-20-41)33(46)26(11-12-30(43)44)37-32(45)27-23-28(38-31(36-27)25-9-6-5-7-10-25)39-15-13-24(14-16-39)22-29(42)35-2/h5-7,9-10,23-24,26H,3-4,8,11-22H2,1-2H3,(H,35,42)(H,37,45)(H,43,44)/t26-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
0.900n/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))
BDBM50302688
PNG
((S)-4-(6-(4-(2-(methylamino)-2-oxoethyl)piperidin-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC(=O)NC)CC1
Show InChI InChI=1S/C34H47N7O7/c1-3-4-8-21-48-34(47)41-19-17-40(18-20-41)33(46)26(11-12-30(43)44)37-32(45)27-23-28(38-31(36-27)25-9-6-5-7-10-25)39-15-13-24(14-16-39)22-29(42)35-2/h5-7,9-10,23-24,26H,3-4,8,11-22H2,1-2H3,(H,35,42)(H,37,45)(H,43,44)/t26-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+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