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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50045611   
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))
BDBM50045611
PNG
(CHEMBL3314291 | US9540323, 77 | US9540323, example...)
Show SMILES CCOC(=O)C1(C)CN(c2c1c(Cl)ccc2O)c1ccccc1NC(=O)Nc1nc2ccc(Cl)nc2s1
Show InChI InChI=1/C25H21Cl2N5O4S/c1-3-36-22(34)25(2)12-32(20-17(33)10-8-13(26)19(20)25)16-7-5-4-6-14(16)28-23(35)31-24-29-15-9-11-18(27)30-21(15)37-24/h4-11,33H,3,12H2,1-2H3,(H2,28,29,31,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
12.9 -45.0n/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))
BDBM50045611
PNG
(CHEMBL3314291 | US9540323, 77 | US9540323, example...)
Show SMILES CCOC(=O)C1(C)CN(c2c1c(Cl)ccc2O)c1ccccc1NC(=O)Nc1nc2ccc(Cl)nc2s1
Show InChI InChI=1/C25H21Cl2N5O4S/c1-3-36-22(34)25(2)12-32(20-17(33)10-8-13(26)19(20)25)16-7-5-4-6-14(16)28-23(35)31-24-29-15-9-11-18(27)30-21(15)37-24/h4-11,33H,3,12H2,1-2H3,(H2,28,29,31,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
13 -45.0n/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