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SMILES: COc1ccc(CCN2CCn3c(C2)nc2n(C)c(=O)n(C)c(=O)c32)cc1OC

InChI Key: InChIKey=MSCJYUQDXILIHI-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50534161   
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 A2a


(Rattus norvegicus (rat))
BDBM50534161
PNG
(CHEMBL4527230)
Show SMILES COc1ccc(CCN2CCn3c(C2)nc2n(C)c(=O)n(C)c(=O)c32)cc1OC
Show InChI InChI=1S/C20H25N5O4/c1-22-18-17(19(26)23(2)20(22)27)25-10-9-24(12-16(25)21-18)8-7-13-5-6-14(28-3)15(11-13)29-4/h5-6,11H,7-10,12H2,1-4H3
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX from A2A receptor in rat brain striatum membranes measured after 30 mins by liquid scintillation counting method


Bioorg Med Chem 24: 5462-5480 (2016)


Article DOI: 10.1016/j.bmc.2016.09.003
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50534161
PNG
(CHEMBL4527230)
Show SMILES COc1ccc(CCN2CCn3c(C2)nc2n(C)c(=O)n(C)c(=O)c32)cc1OC
Show InChI InChI=1S/C20H25N5O4/c1-22-18-17(19(26)23(2)20(22)27)25-10-9-24(12-16(25)21-18)8-7-13-5-6-14(28-3)15(11-13)29-4/h5-6,11H,7-10,12H2,1-4H3
NCI pathway
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PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from human A2B receptor expressed in CHO cell membrane


Bioorg Med Chem 24: 5462-5480 (2016)


Article DOI: 10.1016/j.bmc.2016.09.003
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50534161
PNG
(CHEMBL4527230)
Show SMILES COc1ccc(CCN2CCn3c(C2)nc2n(C)c(=O)n(C)c(=O)c32)cc1OC
Show InChI InChI=1S/C20H25N5O4/c1-22-18-17(19(26)23(2)20(22)27)25-10-9-24(12-16(25)21-18)8-7-13-5-6-14(28-3)15(11-13)29-4/h5-6,11H,7-10,12H2,1-4H3
PDB

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PC cid
PC sid
UniChem
Article
PubMed
>1.50E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from A1 receptor in rat brain cortex membranes by liquid scintillation counting method


Bioorg Med Chem 24: 5462-5480 (2016)


Article DOI: 10.1016/j.bmc.2016.09.003
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50534161
PNG
(CHEMBL4527230)
Show SMILES COc1ccc(CCN2CCn3c(C2)nc2n(C)c(=O)n(C)c(=O)c32)cc1OC
Show InChI InChI=1S/C20H25N5O4/c1-22-18-17(19(26)23(2)20(22)27)25-10-9-24(12-16(25)21-18)8-7-13-5-6-14(28-3)15(11-13)29-4/h5-6,11H,7-10,12H2,1-4H3
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PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human A3 receptor expressed in CHO cell membrane by liquid scintillation counting method relative to control


Bioorg Med Chem 24: 5462-5480 (2016)


Article DOI: 10.1016/j.bmc.2016.09.003
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50534161
PNG
(CHEMBL4527230)
Show SMILES COc1ccc(CCN2CCn3c(C2)nc2n(C)c(=O)n(C)c(=O)c32)cc1OC
Show InChI InChI=1S/C20H25N5O4/c1-22-18-17(19(26)23(2)20(22)27)25-10-9-24(12-16(25)21-18)8-7-13-5-6-14(28-3)15(11-13)29-4/h5-6,11H,7-10,12H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 30 mins followed by addition of p-tyramine ...


Bioorg Med Chem 24: 5462-5480 (2016)


Article DOI: 10.1016/j.bmc.2016.09.003
More data for this
Ligand-Target Pair