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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50045610   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50045610
PNG
(CHEMBL3314290 | US9540323, 74 | US9540323, example...)
Show SMILES CCOC(=O)C1(C)CN(c2c1c(Cl)ccc2O)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H23ClF3N3O5/c1-3-37-23(35)25(2)14-33(22-20(34)13-12-17(27)21(22)25)19-7-5-4-6-18(19)32-24(36)31-15-8-10-16(11-9-15)38-26(28,29)30/h4-13,34H,3,14H2,1-2H3,(H2,31,32,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0900n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assay


J Med Chem 57: 6150-64 (2014)


Article DOI: 10.1021/jm5006226
BindingDB Entry DOI: 10.7270/Q20Z74XP
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50045610
PNG
(CHEMBL3314290 | US9540323, 74 | US9540323, example...)
Show SMILES CCOC(=O)C1(C)CN(c2c1c(Cl)ccc2O)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H23ClF3N3O5/c1-3-37-23(35)25(2)14-33(22-20(34)13-12-17(27)21(22)25)19-7-5-4-6-18(19)32-24(36)31-15-8-10-16(11-9-15)38-26(28,29)30/h4-13,34H,3,14H2,1-2H3,(H2,31,32,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in platelet-enriched human plasma assessed as 10 uM ADP-induced platelet aggregation preincubated for 1 min foll...


J Med Chem 57: 6150-64 (2014)


Article DOI: 10.1021/jm5006226
BindingDB Entry DOI: 10.7270/Q20Z74XP
More data for this
Ligand-Target Pair