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BDBM50307561 (4S)4-{[(4-{[(Isopropylamino)carbonyl]amino}-6-phenylpyridin-2-yl)carbonyl]amino}-5-oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}pentanoic acid::CHEMBL578080

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

InChI Key: InChIKey=VHCBDYYWAGEJBX-MHZLTWQESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50307561   
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))		BDBM50307561
PNG
((4S)4-{[(4-{[(Isopropylamino)carbonyl]amino}-6-phe...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cc(NC(=O)NC(C)C)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C35H50N6O7/c1-7-8-12-21-47-34(46)41-19-17-40(18-20-41)32(44)27(15-16-30(42)48-35(4,5)6)39-31(43)29-23-26(37-33(45)36-24(2)3)22-28(38-29)25-13-10-9-11-14-25/h9-11,13-14,22-24,27H,7-8,12,15-21H2,1-6H3,(H,39,43)(H2,36,37,38,45)/t27-/m0/s1
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Similars
Article
PubMed
 2.70n/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