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BDBM50302697 (S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(4-(4-(ethylcarbamoyl)piperidin-1-yl)-6-phenylpicolinamido)-5-oxopentanoic acid::(S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(6-(4-(ethylcarbamoyl)piperidin-1-yl)-2-phenylpyrimidine-4-carboxamido)-5-oxopentanoic acid::CHEMBL570295

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

InChI Key: InChIKey=CSSIJRLCRZWQPJ-MHZLTWQESA-N

Data: 2 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 3 hits for monomerid = 50302697   
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))
BDBM50302697
PNG
((S)-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(CC1)C(=O)NCC |r|
Show InChI InChI=1S/C34H46N6O7/c1-3-5-21-47-34(46)40-19-17-39(18-20-40)33(45)27(11-12-30(41)42)37-32(44)29-23-26(22-28(36-29)24-9-7-6-8-10-24)38-15-13-25(14-16-38)31(43)35-4-2/h6-10,22-23,25,27H,3-5,11-21H2,1-2H3,(H,35,43)(H,37,44)(H,41,42)/t27-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
0.380n/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))
BDBM50302697
PNG
((S)-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(CC1)C(=O)NCC |r|
Show InChI InChI=1S/C34H46N6O7/c1-3-5-21-47-34(46)40-19-17-39(18-20-40)33(45)27(11-12-30(41)42)37-32(44)29-23-26(22-28(36-29)24-9-7-6-8-10-24)38-15-13-25(14-16-38)31(43)35-4-2/h6-10,22-23,25,27H,3-5,11-21H2,1-2H3,(H,35,43)(H,37,44)(H,41,42)/t27-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.680n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

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))
BDBM50302697
PNG
((S)-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(CC1)C(=O)NCC |r|
Show InChI InChI=1S/C34H46N6O7/c1-3-5-21-47-34(46)40-19-17-39(18-20-40)33(45)27(11-12-30(41)42)37-32(44)29-23-26(22-28(36-29)24-9-7-6-8-10-24)38-15-13-25(14-16-38)31(43)35-4-2/h6-10,22-23,25,27H,3-5,11-21H2,1-2H3,(H,35,43)(H,37,44)(H,41,42)/t27-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 490n/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