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BDBM50045603 CHEMBL3314316::US9540323, 161::US9540323, example 161

SMILES: CC1(C)CN(c2c1c(c(F)cc2O)-c1cc(F)nc(F)c1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=AOVDOABPZSHYNE-UHFFFAOYSA-N

Data: 2 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50045603   
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))
BDBM50045603
PNG
(CHEMBL3314316 | US9540323, 161 | US9540323, exampl...)
Show SMILES CC1(C)CN(c2c1c(c(F)cc2O)-c1cc(F)nc(F)c1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C29H22F6N4O3/c1-28(2)14-39(26-21(40)13-18(30)24(25(26)28)15-11-22(31)38-23(32)12-15)20-6-4-3-5-19(20)37-27(41)36-16-7-9-17(10-8-16)42-29(33,34)35/h3-13,40H,14H2,1-2H3,(H2,36,37,41)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
6.60 -11.2n/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))
BDBM50045603
PNG
(CHEMBL3314316 | US9540323, 161 | US9540323, exampl...)
Show SMILES CC1(C)CN(c2c1c(c(F)cc2O)-c1cc(F)nc(F)c1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C29H22F6N4O3/c1-28(2)14-39(26-21(40)13-18(30)24(25(26)28)15-11-22(31)38-23(32)12-15)20-6-4-3-5-19(20)37-27(41)36-16-7-9-17(10-8-16)42-29(33,34)35/h3-13,40H,14H2,1-2H3,(H2,36,37,41)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
6.60 -11.2n/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))
BDBM50045603
PNG
(CHEMBL3314316 | US9540323, 161 | US9540323, exampl...)
Show SMILES CC1(C)CN(c2c1c(c(F)cc2O)-c1cc(F)nc(F)c1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C29H22F6N4O3/c1-28(2)14-39(26-21(40)13-18(30)24(25(26)28)15-11-22(31)38-23(32)12-15)20-6-4-3-5-19(20)37-27(41)36-16-7-9-17(10-8-16)42-29(33,34)35/h3-13,40H,14H2,1-2H3,(H2,36,37,41)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 160n/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
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045603
PNG
(CHEMBL3314316 | US9540323, 161 | US9540323, exampl...)
Show SMILES CC1(C)CN(c2c1c(c(F)cc2O)-c1cc(F)nc(F)c1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C29H22F6N4O3/c1-28(2)14-39(26-21(40)13-18(30)24(25(26)28)15-11-22(31)38-23(32)12-15)20-6-4-3-5-19(20)37-27(41)36-16-7-9-17(10-8-16)42-29(33,34)35/h3-13,40H,14H2,1-2H3,(H2,36,37,41)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.470n/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