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BDBM50306934 (S)-4-(4-(3-(methylcarbamoyl)azetidin-1-yl)-6-phenylpicolinamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid::CHEMBL590146

SMILES: CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CC(C1)C(=O)NC

InChI Key: InChIKey=UXYDXWLJPBNMEV-VWLOTQADSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50306934   
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))
BDBM50306934
PNG
((S)-4-(4-(3-(methylcarbamoyl)azetidin-1-yl)-6-phen...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CC(C1)C(=O)NC
Show InChI InChI=1S/C32H42N6O7/c1-3-4-8-17-45-32(44)37-15-13-36(14-16-37)31(43)25(11-12-28(39)40)35-30(42)27-19-24(38-20-23(21-38)29(41)33-2)18-26(34-27)22-9-6-5-7-10-22/h5-7,9-10,18-19,23,25H,3-4,8,11-17,20-21H2,1-2H3,(H,33,41)(H,35,42)(H,39,40)/t25-/m0/s1
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Similars

Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human P2Y12 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1388-94 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.110
BindingDB Entry DOI: 10.7270/Q2ZP467B
More data for this
Ligand-Target Pair