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BDBM50307558 (4S)5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}-4-{[(6-phenyl-4-{[(piperidin-4-ylmethoxy)carbonyl]amino}pyridin-2-yl)carbonyl]amino}pentanoic acid::CHEMBL592410

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

InChI Key: InChIKey=LNKFTOXHTFDTMT-PMERELPUSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50307558   
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))		BDBM50307558
PNG
((4S)5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cc(NC(=O)OCC2CCNCC2)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C38H54N6O8/c1-5-6-10-23-50-37(49)44-21-19-43(20-22-44)35(47)30(13-14-33(45)52-38(2,3)4)42-34(46)32-25-29(24-31(41-32)28-11-8-7-9-12-28)40-36(48)51-26-27-15-17-39-18-16-27/h7-9,11-12,24-25,27,30,39H,5-6,10,13-23,26H2,1-4H3,(H,42,46)(H,40,41,48)/t30-/m0/s1
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Similars
Article
PubMed
 1.70n/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