new BindingDB logo
myBDB logout

BDBM50302690 (S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-4-(2-phenyl-6-(4-(pyrrolidine-1-carbonyl)piperidin-1-yl)pyrimidine-4-carboxamido)pentanoic acid::CHEMBL567561

SMILES: CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N1CCCC1

InChI Key: InChIKey=CBVPISJJLVALMU-NDEPHWFRSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50302690   
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))
BDBM50302690
PNG
((S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N1CCCC1
Show InChI InChI=1S/C36H49N7O7/c1-2-3-9-24-50-36(49)43-22-20-42(21-23-43)35(48)28(12-13-31(44)45)38-33(46)29-25-30(39-32(37-29)26-10-5-4-6-11-26)40-18-14-27(15-19-40)34(47)41-16-7-8-17-41/h4-6,10-11,25,27-28H,2-3,7-9,12-24H2,1H3,(H,38,46)(H,44,45)/t28-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.460n/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))
BDBM50302690
PNG
((S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N1CCCC1
Show InChI InChI=1S/C36H49N7O7/c1-2-3-9-24-50-36(49)43-22-20-42(21-23-43)35(48)28(12-13-31(44)45)38-33(46)29-25-30(39-32(37-29)26-10-5-4-6-11-26)40-18-14-27(15-19-40)34(47)41-16-7-8-17-41/h4-6,10-11,25,27-28H,2-3,7-9,12-24H2,1H3,(H,38,46)(H,44,45)/t28-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 270n/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