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BDBM50307668 (4S)5-[4-(Butoxycarbonyl)iperazin-1-yl]-4-{[(4-{[(4-ethoxypiperidin-1-yl)carbonyl]oxy}-6-phenylpyridin-2-yl)carbonyl]amino}-5-oxopentanoic Acid::CHEMBL592884

SMILES: CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(=O)N2CCC(CC2)OCC)cc(n1)-c1ccccc1

InChI Key: InChIKey=XNGNDNWPGYZKEB-MHZLTWQESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50307668   
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))		BDBM50307668
PNG
((4S)5-[4-(Butoxycarbonyl)iperazin-1-yl]-4-{[(4-{[(...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(=O)N2CCC(CC2)OCC)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C34H45N5O9/c1-3-5-21-47-33(44)39-19-17-37(18-20-39)32(43)27(11-12-30(40)41)36-31(42)29-23-26(22-28(35-29)24-9-7-6-8-10-24)48-34(45)38-15-13-25(14-16-38)46-4-2/h6-10,22-23,25,27H,3-5,11-21H2,1-2H3,(H,36,42)(H,40,41)/t27-/m0/s1
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Similars
Article
PubMed
 2.10n/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