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BDBM50307615 (4S)5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}-4-{[(6-phenyl-4-{[1-(trifluoroacetyl)iperidin-4-yl]oxy}pyridin-2-yl)carbonyl]amino}pentanoic Acid::CHEMBL592887

SMILES: CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC2CCN(CC2)C(=O)C(F)(F)F)cc(n1)-c1ccccc1

InChI Key: InChIKey=BKCCOLCEJXMQII-SANMLTNESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50307615   
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))
BDBM50307615
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(OC2CCN(CC2)C(=O)C(F)(F)F)cc(n1)-c1ccccc1
Show InChI InChI=1S/C34H42F3N5O8/c1-2-3-7-20-49-33(48)42-18-16-40(17-19-42)31(46)26(10-11-29(43)44)39-30(45)28-22-25(21-27(38-28)23-8-5-4-6-9-23)50-24-12-14-41(15-13-24)32(47)34(35,36)37/h4-6,8-9,21-22,24,26H,2-3,7,10-20H2,1H3,(H,39,45)(H,43,44)/t26-/m0/s1
PDB

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Similars

Article
PubMed
19n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

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