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BDBM50307636 (4S)5-Oxo-4-{[(6-phenylpyridin-2-yl)carbonyl]amino}-5-{4-[(propylamino)carbonothioyl]piperazin-1-yl}pentanoic acid::CHEMBL596769

SMILES: CCCNC(=S)N1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cccc(n1)-c1ccccc1

InChI Key: InChIKey=OYBCCWXMQJIGRN-FQKVKQEKNA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50307636   
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))
BDBM50307636
PNG
((4S)5-Oxo-4-{[(6-phenylpyridin-2-yl)carbonyl]amino...)
Show SMILES CCCNC(=S)N1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cccc(n1)-c1ccccc1
Show InChI InChI=1/C29H39N5O4S/c1-5-16-30-28(39)34-19-17-33(18-20-34)27(37)24(14-15-25(35)38-29(2,3)4)32-26(36)23-13-9-12-22(31-23)21-10-7-6-8-11-21/h6-13,24H,5,14-20H2,1-4H3,(H,30,39)(H,32,36)/t24-/s2
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Similars

Article
PubMed
42n/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