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BDBM50307703 (4S)4-({[4-({[Methyl(tetrahydrofuran-3-yl)mino]carbonyl}oxy)6-phenylpyridin-2-yl]carbonyl}amino)5-oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}pentanoic Acid::CHEMBL592678

SMILES: CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(=O)N(C)C2CCOC2)cc(n1)-c1ccccc1

InChI Key: InChIKey=CHHZSXIOHUMXCV-JKGBFCRXSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50307703   
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))		BDBM50307703
PNG
((4S)4-({[4-({[Methyl(tetrahydrofuran-3-yl)mino]car...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(=O)N(C)C2CCOC2)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C33H43N5O9/c1-3-4-8-18-46-33(44)38-16-14-37(15-17-38)31(42)26(11-12-29(39)40)35-30(41)28-21-25(20-27(34-28)23-9-6-5-7-10-23)47-32(43)36(2)24-13-19-45-22-24/h5-7,9-10,20-21,24,26H,3-4,8,11-19,22H2,1-2H3,(H,35,41)(H,39,40)/t24?,26-/m0/s1
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Similars
Article
PubMed
 2.30n/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