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BDBM50307702 (4S)-4-[({4-[3-(Dimethylamino)-3-oxopropyl]-6-phenylpyridin-2-yl}carbonyl)amino]-5-oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}pentanoic Acid::CHEMBL591048

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

InChI Key: InChIKey=SIQJDUMTBGBKHP-VWLOTQADSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50307702   
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))
BDBM50307702
PNG
((4S)-4-[({4-[3-(Dimethylamino)-3-oxopropyl]-6-phen...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(CCC(=O)N(C)C)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C32H43N5O7/c1-4-5-9-20-44-32(43)37-18-16-36(17-19-37)31(42)25(13-15-29(39)40)34-30(41)27-22-23(12-14-28(38)35(2)3)21-26(33-27)24-10-7-6-8-11-24/h6-8,10-11,21-22,25H,4-5,9,12-20H2,1-3H3,(H,34,41)(H,39,40)/t25-/m0/s1
PDB

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PC cid
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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