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BDBM50433794 CHEMBL2381899

SMILES: CN(C)Cc1cccc(c1)-c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)c(F)c1

InChI Key: InChIKey=CMTGUQQGJIMPNK-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 = 50433794   
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))
BDBM50433794
PNG
(CHEMBL2381899)
Show SMILES CN(C)Cc1cccc(c1)-c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)c(F)c1
Show InChI InChI=1S/C31H33FN4O2/c1-31(2,3)24-12-6-7-14-28(24)38-29-27(13-9-17-33-29)35-30(37)34-26-16-15-23(19-25(26)32)22-11-8-10-21(18-22)20-36(4)5/h6-19H,20H2,1-5H3,(H2,34,35,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
34n/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