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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50045604   
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
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045604
PNG
(CHEMBL3314317 | US9540323, 164 | US9540323, exampl...)
Show SMILES CC1(C)CN(c2c1c(c(F)cc2O)-c1ncc(F)cn1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C28H22F5N5O3/c1-27(2)14-38(24-21(39)11-18(30)22(23(24)27)25-34-12-15(29)13-35-25)20-6-4-3-5-19(20)37-26(40)36-16-7-9-17(10-8-16)41-28(31,32)33/h3-13,39H,14H2,1-2H3,(H2,36,37,40)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

US Patent
10.8 -45.5n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay B: A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 rece...


US Patent US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q2M61J7D
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045604
PNG
(CHEMBL3314317 | US9540323, 164 | US9540323, exampl...)
Show SMILES CC1(C)CN(c2c1c(c(F)cc2O)-c1ncc(F)cn1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C28H22F5N5O3/c1-27(2)14-38(24-21(39)11-18(30)22(23(24)27)25-34-12-15(29)13-35-25)20-6-4-3-5-19(20)37-26(40)36-16-7-9-17(10-8-16)41-28(31,32)33/h3-13,39H,14H2,1-2H3,(H2,36,37,40)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

US Patent
11 -45.4n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...


US Patent US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair