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BDBM50307685 (4S)5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}-4-({[6-phenyl-4-(piperidin-4-ylmethoxy)pyridin-2-yl]carbonyl}amino)pentanoic Acid::CHEMBL592880

SMILES: CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC2CCNCC2)cc(n1)-c1ccccc1

InChI Key: InChIKey=ULIUVTMKMDUBGV-XUESUEPENA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50307685   
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))
BDBM50307685
PNG
((4S)5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC2CCNCC2)cc(n1)-c1ccccc1
Show InChI InChI=1/C33H45N5O7/c1-2-3-7-20-44-33(43)38-18-16-37(17-19-38)32(42)27(10-11-30(39)40)36-31(41)29-22-26(45-23-24-12-14-34-15-13-24)21-28(35-29)25-8-5-4-6-9-25/h4-6,8-9,21-22,24,27,34H,2-3,7,10-20,23H2,1H3,(H,36,41)(H,39,40)/t27-/s2
PDB

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Similars

Article
PubMed
4.5n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair