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BDBM50306951 4-(4-(3-hydroxypyrrolidin-1-yl)-6-phenylpicolinamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid::CHEMBL590258

SMILES: CCCCCOC(=O)N1CCN(CC1)C(=O)C(CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(O)C1

InChI Key: InChIKey=YBRICPHMUGKTCX-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50306951   
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))
BDBM50306951
PNG
(4-(4-(3-hydroxypyrrolidin-1-yl)-6-phenylpicolinami...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)C(CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(O)C1
Show InChI InChI=1S/C31H41N5O7/c1-2-3-7-18-43-31(42)35-16-14-34(15-17-35)30(41)25(10-11-28(38)39)33-29(40)27-20-23(36-13-12-24(37)21-36)19-26(32-27)22-8-5-4-6-9-22/h4-6,8-9,19-20,24-25,37H,2-3,7,10-18,21H2,1H3,(H,33,40)(H,38,39)
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Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



Pfizer Inc

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