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BDBM50306989 (S)-4-(4-(4-(dimethylcarbamoyl)piperidin-1-yl)-6-phenylpicolinamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid::CHEMBL601698

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

InChI Key: InChIKey=FNOMUYCQBSSGRQ-NDEPHWFRSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50306989   
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))
BDBM50306989
PNG
((S)-4-(4-(4-(dimethylcarbamoyl)piperidin-1-yl)-6-p...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N(C)C |r|
Show InChI InChI=1S/C35H48N6O7/c1-4-5-9-22-48-35(47)41-20-18-40(19-21-41)34(46)28(12-13-31(42)43)37-32(44)30-24-27(23-29(36-30)25-10-7-6-8-11-25)39-16-14-26(15-17-39)33(45)38(2)3/h6-8,10-11,23-24,26,28H,4-5,9,12-22H2,1-3H3,(H,37,44)(H,42,43)/t28-/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
0.980n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human P2Y12 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1388-94 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.110
BindingDB Entry DOI: 10.7270/Q2ZP467B
More data for this
Ligand-Target Pair