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BDBM50307556 (4S)5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}-4-({[6-phenyl-4-({[(piperidin-4-ylmethyl)amino]carbonyl}amino)pyridin-2-yl]carbonyl}amino)pentanoic acid::CHEMBL591712

SMILES: CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cc(NC(=O)NCC2CCNCC2)cc(n1)-c1ccccc1

InChI Key: InChIKey=PODCOWUPDXKSIP-PMERELPUSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50307556   
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))
BDBM50307556
PNG
((4S)5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cc(NC(=O)NCC2CCNCC2)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C38H55N7O7/c1-5-6-10-23-51-37(50)45-21-19-44(20-22-45)35(48)30(13-14-33(46)52-38(2,3)4)43-34(47)32-25-29(24-31(42-32)28-11-8-7-9-12-28)41-36(49)40-26-27-15-17-39-18-16-27/h7-9,11-12,24-25,27,30,39H,5-6,10,13-23,26H2,1-4H3,(H,43,47)(H2,40,41,42,49)/t30-/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
1.40n/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