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BDBM50045627 CHEMBL3314307::US9540323, 200::US9540323, example 200

SMILES: CC(C)CN1CCCC1c1ccc(NC(=O)Nc2ccccc2N2CC(C)(C)c3c2c(O)ccc3-c2ccc(F)cc2)cc1

InChI Key: InChIKey=MDMCTLXHVQFKPF-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 = 50045627   
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))
BDBM50045627
PNG
(CHEMBL3314307 | US9540323, 200 | US9540323, exampl...)
Show SMILES CC(C)CN1CCCC1c1ccc(NC(=O)Nc2ccccc2N2CC(C)(C)c3c2c(O)ccc3-c2ccc(F)cc2)cc1
Show InChI InChI=1/C37H41FN4O2/c1-24(2)22-41-21-7-10-31(41)26-13-17-28(18-14-26)39-36(44)40-30-8-5-6-9-32(30)42-23-37(3,4)34-29(19-20-33(43)35(34)42)25-11-15-27(38)16-12-25/h5-6,8-9,11-20,24,31,43H,7,10,21-23H2,1-4H3,(H2,39,40,44)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
4.60 -11.4n/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)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045627
PNG
(CHEMBL3314307 | US9540323, 200 | US9540323, exampl...)
Show SMILES CC(C)CN1CCCC1c1ccc(NC(=O)Nc2ccccc2N2CC(C)(C)c3c2c(O)ccc3-c2ccc(F)cc2)cc1
Show InChI InChI=1/C37H41FN4O2/c1-24(2)22-41-21-7-10-31(41)26-13-17-28(18-14-26)39-36(44)40-30-8-5-6-9-32(30)42-23-37(3,4)34-29(19-20-33(43)35(34)42)25-11-15-27(38)16-12-25/h5-6,8-9,11-20,24,31,43H,7,10,21-23H2,1-4H3,(H2,39,40,44)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
4.60 -11.4n/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)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045627
PNG
(CHEMBL3314307 | US9540323, 200 | US9540323, exampl...)
Show SMILES CC(C)CN1CCCC1c1ccc(NC(=O)Nc2ccccc2N2CC(C)(C)c3c2c(O)ccc3-c2ccc(F)cc2)cc1
Show InChI InChI=1/C37H41FN4O2/c1-24(2)22-41-21-7-10-31(41)26-13-17-28(18-14-26)39-36(44)40-30-8-5-6-9-32(30)42-23-37(3,4)34-29(19-20-33(43)35(34)42)25-11-15-27(38)16-12-25/h5-6,8-9,11-20,24,31,43H,7,10,21-23H2,1-4H3,(H2,39,40,44)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0200n/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
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045627
PNG
(CHEMBL3314307 | US9540323, 200 | US9540323, exampl...)
Show SMILES CC(C)CN1CCCC1c1ccc(NC(=O)Nc2ccccc2N2CC(C)(C)c3c2c(O)ccc3-c2ccc(F)cc2)cc1
Show InChI InChI=1/C37H41FN4O2/c1-24(2)22-41-21-7-10-31(41)26-13-17-28(18-14-26)39-36(44)40-30-8-5-6-9-32(30)42-23-37(3,4)34-29(19-20-33(43)35(34)42)25-11-15-27(38)16-12-25/h5-6,8-9,11-20,24,31,43H,7,10,21-23H2,1-4H3,(H2,39,40,44)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/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
More data for this
Ligand-Target Pair