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BDBM50302729 (S)-4-(6-(4-(aminomethyl)piperidin-1-yl)-2-phenylpyrimidine-4-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid::CHEMBL571584

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

InChI Key: InChIKey=JWSCCUYVOQHUIB-VWLOTQADSA-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 = 50302729   
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))
BDBM50302729
PNG
((S)-4-(6-(4-(aminomethyl)piperidin-1-yl)-2-phenylp...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CN)CC1 |r|
Show InChI InChI=1S/C32H45N7O6/c1-2-3-7-20-45-32(44)39-18-16-38(17-19-39)31(43)25(10-11-28(40)41)35-30(42)26-21-27(37-14-12-23(22-33)13-15-37)36-29(34-26)24-8-5-4-6-9-24/h4-6,8-9,21,23,25H,2-3,7,10-20,22,33H2,1H3,(H,35,42)(H,40,41)/t25-/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
3n/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))
BDBM50302729
PNG
((S)-4-(6-(4-(aminomethyl)piperidin-1-yl)-2-phenylp...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CN)CC1 |r|
Show InChI InChI=1S/C32H45N7O6/c1-2-3-7-20-45-32(44)39-18-16-38(17-19-39)31(43)25(10-11-28(40)41)35-30(42)26-21-27(37-14-12-23(22-33)13-15-37)36-29(34-26)24-8-5-4-6-9-24/h4-6,8-9,21,23,25H,2-3,7,10-20,22,33H2,1H3,(H,35,42)(H,40,41)/t25-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 490n/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