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BDBM50307011 (4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-{[(4-{4-[(methylamino)ethyl]piperidin-1-yl}-6-phenylpyridin-2-yl)carbonyl]amino}-5-oxopentanoic Acid::(S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(4-(4-((methylamino)methyl)piperidin-1-yl)-6-phenylpicolinamido)-5-oxopentanoic acid::CHEMBL589518

SMILES: CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CNC)CC1

InChI Key: InChIKey=KQIGSADDMXCJMD-MHZLTWQESA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50307011   
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))
BDBM50307011
PNG
((4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-{[(4-{4...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CNC)CC1
Show InChI InChI=1S/C33H46N6O6/c1-3-4-20-45-33(44)39-18-16-38(17-19-39)32(43)27(10-11-30(40)41)36-31(42)29-22-26(37-14-12-24(13-15-37)23-34-2)21-28(35-29)25-8-6-5-7-9-25/h5-9,21-22,24,27,34H,3-4,10-20,23H2,1-2H3,(H,36,42)(H,40,41)/t27-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
4n/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
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307011
PNG
((4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-{[(4-{4...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CNC)CC1
Show InChI InChI=1S/C33H46N6O6/c1-3-4-20-45-33(44)39-18-16-38(17-19-39)32(43)27(10-11-30(40)41)36-31(42)29-22-26(37-14-12-24(13-15-37)23-34-2)21-28(35-29)25-8-6-5-7-9-25/h5-9,21-22,24,27,34H,3-4,10-20,23H2,1-2H3,(H,36,42)(H,40,41)/t27-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4n/an/an/an/an/an/an/an/a



Pfizer Inc

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