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BDBM50302660 (S)-4-(6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid::CHEMBL568250

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

InChI Key: InChIKey=JWRHFTGJLNGSTG-QFIPXVFZSA-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 = 50302660   
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))
BDBM50302660
PNG
((S)-4-(6-(2-methoxyethylamino)-2-phenylpyrimidine-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NCCOC)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C29H40N6O7/c1-3-4-8-18-42-29(40)35-16-14-34(15-17-35)28(39)22(11-12-25(36)37)32-27(38)23-20-24(30-13-19-41-2)33-26(31-23)21-9-6-5-7-10-21/h5-7,9-10,20,22H,3-4,8,11-19H2,1-2H3,(H,32,38)(H,36,37)(H,30,31,33)/t22-/m0/s1
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20n/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)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302660
PNG
((S)-4-(6-(2-methoxyethylamino)-2-phenylpyrimidine-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NCCOC)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C29H40N6O7/c1-3-4-8-18-42-29(40)35-16-14-34(15-17-35)28(39)22(11-12-25(36)37)32-27(38)23-20-24(30-13-19-41-2)33-26(31-23)21-9-6-5-7-10-21/h5-7,9-10,20,22H,3-4,8,11-19H2,1-2H3,(H,32,38)(H,36,37)(H,30,31,33)/t22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60E+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)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair