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BDBM50302705 (S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(6-(4-(2-methoxyethyl)piperidin-1-yl)-2-phenylpyrimidine-4-carboxamido)-5-oxopentanoic acid::CHEMBL570256

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

InChI Key: InChIKey=UALKMJQTNUBZKR-SANMLTNESA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50302705   
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))
BDBM50302705
PNG
((S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(6-(4-(...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CCOC)CC1 |r|
Show InChI InChI=1S/C33H46N6O7/c1-3-4-21-46-33(44)39-19-17-38(18-20-39)32(43)26(10-11-29(40)41)35-31(42)27-23-28(36-30(34-27)25-8-6-5-7-9-25)37-15-12-24(13-16-37)14-22-45-2/h5-9,23-24,26H,3-4,10-22H2,1-2H3,(H,35,42)(H,40,41)/t26-/m0/s1
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302705
PNG
((S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(6-(4-(...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CCOC)CC1 |r|
Show InChI InChI=1S/C33H46N6O7/c1-3-4-21-46-33(44)39-19-17-38(18-20-39)32(43)26(10-11-29(40)41)35-31(42)27-23-28(36-30(34-27)25-8-6-5-7-9-25)37-15-12-24(13-16-37)14-22-45-2/h5-9,23-24,26H,3-4,10-22H2,1-2H3,(H,35,42)(H,40,41)/t26-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation by light transmission ...


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair