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BDBM50302700 (S)-4-(4-(4-carbamoylpiperidin-1-yl)-6-phenylpyrimidine-2-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid::CHEMBL570285

SMILES: CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1nc(cc(n1)-c1ccccc1)N1CCC(CC1)C(N)=O

InChI Key: InChIKey=WZUCLAFTDDOOOX-DEOSSOPVSA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50302700   
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))
BDBM50302700
PNG
((S)-4-(4-(4-carbamoylpiperidin-1-yl)-6-phenylpyrim...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1nc(cc(n1)-c1ccccc1)N1CCC(CC1)C(N)=O |r|
Show InChI InChI=1S/C32H43N7O7/c1-2-3-7-20-46-32(45)39-18-16-38(17-19-39)31(44)24(10-11-27(40)41)35-30(43)29-34-25(22-8-5-4-6-9-22)21-26(36-29)37-14-12-23(13-15-37)28(33)42/h4-6,8-9,21,23-24H,2-3,7,10-20H2,1H3,(H2,33,42)(H,35,43)(H,40,41)/t24-/m0/s1
PDB

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UniProtKB/SwissProt

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antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.5n/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))
BDBM50302700
PNG
((S)-4-(4-(4-carbamoylpiperidin-1-yl)-6-phenylpyrim...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1nc(cc(n1)-c1ccccc1)N1CCC(CC1)C(N)=O |r|
Show InChI InChI=1S/C32H43N7O7/c1-2-3-7-20-46-32(45)39-18-16-38(17-19-39)31(44)24(10-11-27(40)41)35-30(43)29-34-25(22-8-5-4-6-9-22)21-26(36-29)37-14-12-23(13-15-37)28(33)42/h4-6,8-9,21,23-24H,2-3,7,10-20H2,1H3,(H2,33,42)(H,35,43)(H,40,41)/t24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30E+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