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BDBM50055815 CHEMBL3325659

SMILES: CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(CCO)CC3)c3ccc(C)cc23)cc1

InChI Key: InChIKey=KKOKADSYNDTGQS-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50055815   
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 P2Y12


(Homo sapiens (Human))
BDBM50055815
PNG
(CHEMBL3325659)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(CCO)CC3)c3ccc(C)cc23)cc1
Show InChI InChI=1S/C32H38N6O4/c1-4-5-30(40)27-19-33-38(23(27)3)25-9-7-24(8-10-25)34-32(42)28-20-37(29-11-6-22(2)18-26(28)29)21-31(41)36-14-12-35(13-15-36)16-17-39/h6-11,18-20,39H,4-5,12-17,21H2,1-3H3,(H,34,42)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 41n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50055815
PNG
(CHEMBL3325659)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(CCO)CC3)c3ccc(C)cc23)cc1
Show InChI InChI=1S/C32H38N6O4/c1-4-5-30(40)27-19-33-38(23(27)3)25-9-7-24(8-10-25)34-32(42)28-20-37(29-11-6-22(2)18-26(28)29)21-31(41)36-14-12-35(13-15-36)16-17-39/h6-11,18-20,39H,4-5,12-17,21H2,1-3H3,(H,34,42)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


J Med Chem 57: 7293-316 (2014)


Article DOI: 10.1021/jm500588w
BindingDB Entry DOI: 10.7270/Q2D79D21
More data for this
Ligand-Target Pair