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BDBM50003107 CHEMBL260221

SMILES: CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1

InChI Key: InChIKey=FOSDVAMOMCOKRT-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50003107   
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
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50003107
PNG
(CHEMBL260221)
Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C31H34F3N5O4/c1-3-13-38-26-19-25(35-28(26)29(41)39(14-4-2)30(38)42)21-5-11-24(12-6-21)43-20-27(40)37-17-15-36(16-18-37)23-9-7-22(8-10-23)31(32,33)34/h5-12,19,35H,3-4,13-18,20H2,1-2H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
4.20n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells


Bioorg Med Chem 16: 2852-69 (2008)

Checked by Author
Article DOI: 10.1016/j.bmc.2008.01.002
BindingDB Entry DOI: 10.7270/Q2G73FMZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50003107
PNG
(CHEMBL260221)
Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C31H34F3N5O4/c1-3-13-38-26-19-25(35-28(26)29(41)39(14-4-2)30(38)42)21-5-11-24(12-6-21)43-20-27(40)37-17-15-36(16-18-37)23-9-7-22(8-10-23)31(32,33)34/h5-12,19,35H,3-4,13-18,20H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
174n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem 16: 2852-69 (2008)

Checked by Author
Article DOI: 10.1016/j.bmc.2008.01.002
BindingDB Entry DOI: 10.7270/Q2G73FMZ
More data for this
Ligand-Target Pair