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BDBM50433801 CHEMBL2381891

SMILES: CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(cc1F)-c1ccccc1CO

InChI Key: InChIKey=ZVJRESHGXPQJRG-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50433801   
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))
BDBM50433801
PNG
(CHEMBL2381891)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(cc1F)-c1ccccc1CO
Show InChI InChI=1S/C29H28FN3O3/c1-29(2,3)22-11-6-7-13-26(22)36-27-25(12-8-16-31-27)33-28(35)32-24-15-14-19(17-23(24)30)21-10-5-4-9-20(21)18-34/h4-17,34H,18H2,1-3H3,(H2,32,33,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
54n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 23: 3239-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.125
BindingDB Entry DOI: 10.7270/Q2PN9714
More data for this
Ligand-Target Pair