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BDBM50045609 CHEMBL3314289::US9540323, 78::US9540323, example 78

SMILES: CC1(CC(F)(F)F)CN(c2c1c(Cl)ccc2O)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=SYGILGDIMYHKNM-UHFFFAOYNA-N

Data: 2 KI  2 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 4 hits for monomerid = 50045609   
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 P2Y1


(Homo sapiens (Human))
BDBM50045609
PNG
(CHEMBL3314289 | US9540323, 78 | US9540323, example...)
Show SMILES CC1(CC(F)(F)F)CN(c2c1c(Cl)ccc2O)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C25H20ClF6N3O3/c1-23(12-24(27,28)29)13-35(21-19(36)11-10-16(26)20(21)23)18-5-3-2-4-17(18)34-22(37)33-14-6-8-15(9-7-14)38-25(30,31)32/h2-11,36H,12-13H2,1H3,(H2,33,34,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

US Patent
7.70 -11.1n/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))
BDBM50045609
PNG
(CHEMBL3314289 | US9540323, 78 | US9540323, example...)
Show SMILES CC1(CC(F)(F)F)CN(c2c1c(Cl)ccc2O)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C25H20ClF6N3O3/c1-23(12-24(27,28)29)13-35(21-19(36)11-10-16(26)20(21)23)18-5-3-2-4-17(18)34-22(37)33-14-6-8-15(9-7-14)38-25(30,31)32/h2-11,36H,12-13H2,1H3,(H2,33,34,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

US Patent
7.70 -11.1n/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
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045609
PNG
(CHEMBL3314289 | US9540323, 78 | US9540323, example...)
Show SMILES CC1(CC(F)(F)F)CN(c2c1c(Cl)ccc2O)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C25H20ClF6N3O3/c1-23(12-24(27,28)29)13-35(21-19(36)11-10-16(26)20(21)23)18-5-3-2-4-17(18)34-22(37)33-14-6-8-15(9-7-14)38-25(30,31)32/h2-11,36H,12-13H2,1H3,(H2,33,34,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2n/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
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045609
PNG
(CHEMBL3314289 | US9540323, 78 | US9540323, example...)
Show SMILES CC1(CC(F)(F)F)CN(c2c1c(Cl)ccc2O)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C25H20ClF6N3O3/c1-23(12-24(27,28)29)13-35(21-19(36)11-10-16(26)20(21)23)18-5-3-2-4-17(18)34-22(37)33-14-6-8-15(9-7-14)38-25(30,31)32/h2-11,36H,12-13H2,1H3,(H2,33,34,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.90E+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